data_1k2h_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 1k2h _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.902 0.382 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.522 HD11 ' CE1' ' B' ' 18' ' ' HIS . 50.6 mt -69.98 -40.45 75.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.87 -39.28 93.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.346 -0.846 . . . . 0.0 109.452 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.78 -39.78 86.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.506 -0.746 . . . . 0.0 109.59 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.17 84.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -0.911 . . . . 0.0 110.277 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.81 91.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.861 -1.149 . . . . 0.0 110.43 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.94 -40.01 94.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.046 -1.034 . . . . 0.0 110.686 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.5 m -63.06 -40.21 97.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.9 -1.125 . . . . 0.0 110.895 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 83.1 mt -60.42 -39.93 89.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.008 -1.057 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.08 -40.8 90.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.987 -1.07 . . . . 0.0 110.047 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.34 -41.63 98.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.489 ' CG1' HD22 ' B' ' 4' ' ' LEU . 31.4 t -70.93 -31.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.752 -1.218 . . . . 0.0 110.081 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m-30 -57.91 -38.61 76.18 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.0 t-80 -60.06 -36.04 76.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.56 -57.64 6.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.526 -1.359 . . . . 0.0 109.382 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' B' ' 4' ' ' LEU . 77.6 m80 -79.93 -47.83 14.39 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.968 -1.082 . . . . 0.0 111.056 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -81.02 -9.94 59.77 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.126 -0.984 . . . . 0.0 112.35 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.495 2.572 0 O-C-N 120.602 -1.311 . . . . 0.0 111.369 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' C ' ' H ' ' A' ' 28' ' ' LEU . 11.5 m-85 -50.01 172.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 69' ' ' VAL . 23.8 tptt -82.03 19.1 1.19 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.719 -1.238 . . . . 0.0 108.631 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 26' ' ' TYR . 2.9 mt 81.61 -176.06 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.789 0 CA-C-O 122.616 1.198 . . . . 0.0 112.004 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 m -67.67 150.93 48.09 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -56.41 -36.68 69.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.961 -1.087 . . . . 0.0 110.723 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -60.06 -44.16 94.92 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.77 -1.206 . . . . 0.0 110.101 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' LEU . 81.0 tt0 -73.53 -56.13 5.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.882 -1.136 . . . . 0.0 111.059 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.13 -39.42 2.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.898 -1.126 . . . . 0.0 110.587 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 25.0 tptp -66.61 -40.27 88.73 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.311 -1.493 . . . . 0.0 110.212 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 44.0 t0 -60.23 -39.66 87.45 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.562 -1.336 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.94 -56.61 9.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.53 -0.731 . . . . 0.0 112.572 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 3.7 mm? -76.22 -40.09 53.0 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.733 -1.229 . . . . 0.0 112.193 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -54.76 -27.63 42.7 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.137 -0.977 . . . . 0.0 108.716 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -94.89 -41.67 9.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.509 -0.745 . . . . 0.0 109.107 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.99 -38.05 81.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.399 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 12.8 mt -86.4 39.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -46.05 -40.49 10.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.265 -0.897 . . . . 0.0 110.625 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 19.0 m -58.62 -16.71 17.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 26.8 t80 -59.97 -43.73 94.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -63.93 -14.09 50.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' SER . 48.4 t0 -57.33 -35.71 70.23 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.386 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 p -166.24 87.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.728 -1.232 . . . . 0.0 111.315 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.05 140.13 56.28 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.663 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.1 mmmt -108.97 -81.02 0.57 Allowed 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 -178.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -93.84 108.74 20.49 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.0 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.06 59.93 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -71.53 -40.02 70.34 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.73 58.11 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.168 -0.958 . . . . 0.0 108.828 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -40.0 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -60.34 -40.46 90.75 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.073 0.464 . . . . 0.0 111.415 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.72 -39.97 76.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 110.13 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 57' ' ' ILE . 1.5 mp -64.25 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -25.59 68.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.449 -0.782 . . . . 0.0 108.908 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -64.4 -40.02 94.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.5 -0.75 . . . . 0.0 111.067 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.29 -38.09 74.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.693 -1.255 . . . . 0.0 110.995 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.469 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 2.9 mt -78.91 -22.45 45.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.022 -1.049 . . . . 0.0 110.543 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.99 -30.25 15.43 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.777 -1.202 . . . . 0.0 109.996 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.17 -34.63 71.12 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' C ' ' H ' ' A' ' 66' ' ' ASP . 48.3 t30 -151.65 56.76 0.86 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.74 -13.99 0.96 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 64' ' ' ASN . 97.0 m-20 -85.3 0.27 52.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -1.013 . . . . 0.0 108.904 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -62.21 -150.73 0.02 OUTLIER Glycine 0 N--CA 1.479 1.547 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -145.71 154.62 42.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.358 -1.083 . . . . 0.0 111.307 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.552 ' O ' ' N ' ' A' ' 27' ' ' LYS . 3.4 m -139.94 142.68 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.7 t0 -128.24 -154.74 0.65 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.3 p90 -61.32 -48.64 80.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.283 -0.886 . . . . 0.0 112.285 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 1.044 ' CD ' ' CG2' ' B' ' 83' ' ' VAL . 63.6 tt0 -70.01 -28.1 65.22 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.537 -1.352 . . . . 0.0 109.07 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 28.5 mm-40 -80.82 -36.96 30.89 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.453 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 4.2 t80 -69.93 -38.25 76.14 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.413 -0.804 . . . . 0.0 109.218 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.604 ' CG1' ' HB3' ' B' ' 79' ' ' ALA . 49.7 t -76.75 -42.56 33.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 O-C-N 121.499 -0.751 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.9 t -72.68 -39.98 61.19 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 O-C-N 121.272 -0.893 . . . . 0.0 110.417 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.31 -39.9 64.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.49 -0.756 . . . . 0.0 110.505 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 88.6 t -71.98 -37.68 61.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.405 -0.809 . . . . 0.0 109.04 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HB1' ' CG1' ' B' ' 75' ' ' VAL . . . -66.64 -36.72 83.24 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.891 ' HA ' HE21 ' B' ' 72' ' ' GLN . . . -60.25 -42.45 95.32 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.896 0.855 . . . . 0.0 108.754 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.1 -40.99 91.55 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.443 -1.411 . . . . 0.0 107.909 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 86' ' ' ASN . 1.2 m -49.97 -30.02 9.63 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.512 -0.742 . . . . 0.0 109.182 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 1.039 ' CG2' ' CD ' ' B' ' 72' ' ' GLN . 47.1 t -59.95 -45.51 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-O 122.291 1.043 . . . . 0.0 108.396 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.663 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -68.95 -21.87 64.16 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.861 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.3 t -135.94 29.74 3.11 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.567 -1.333 . . . . 0.0 108.165 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 82' ' ' THR . 40.9 p30 . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.831 . . . . 0.0 109.9 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 18' ' ' HIS . 50.8 mt -69.89 -40.64 75.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.028 -1.045 . . . . 0.0 109.157 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.67 -39.29 93.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.4 -0.812 . . . . 0.0 109.372 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.82 -39.9 86.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 109.53 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.23 84.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.0 110.284 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.67 92.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.993 -1.067 . . . . 0.0 110.489 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.97 -40.1 94.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.092 . . . . 0.0 110.821 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -62.92 -39.96 96.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.02 -1.05 . . . . 0.0 110.946 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.7 mt -60.49 -40.08 90.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.042 -1.036 . . . . 0.0 111.009 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -41.17 91.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.965 -1.084 . . . . 0.0 109.994 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.99 -41.58 99.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.177 -0.952 . . . . 0.0 111.401 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 4' ' ' LEU . 23.3 t -71.18 -31.33 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.612 -1.305 . . . . 0.0 110.177 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 9.0 m-30 -58.3 -38.42 77.01 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.0 t-80 -60.04 -35.84 75.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.58 7.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.522 ' CE1' HD11 ' A' ' 4' ' ' LEU . 77.4 m80 -79.97 -48.03 14.02 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.943 -1.098 . . . . 0.0 111.001 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -80.87 -10.09 59.76 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.099 -1.001 . . . . 0.0 112.319 -177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.557 0 C-N-CA 119.44 -1.362 . . . . 0.0 111.433 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.455 ' C ' ' H ' ' B' ' 28' ' ' LEU . 11.4 m-85 -49.96 173.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 69' ' ' VAL . 23.2 tptt -82.31 19.22 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.812 1.292 . . . . 0.0 108.634 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' B' ' 26' ' ' TYR . 2.9 mt 81.51 -176.24 0.05 Allowed 'General case' 0 N--CA 1.514 2.767 0 CA-C-O 122.513 1.149 . . . . 0.0 112.176 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -67.56 150.32 48.97 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -55.83 -36.98 68.08 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.987 -1.07 . . . . 0.0 110.677 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -60.02 -44.25 94.72 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.794 -1.191 . . . . 0.0 109.97 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 33' ' ' LEU . 81.0 tt0 -73.34 -56.24 5.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.784 -1.197 . . . . 0.0 111.08 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -42.88 -39.4 2.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.94 -1.1 . . . . 0.0 110.61 -178.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.414 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 24.9 tptp -66.83 -40.2 87.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.097 -1.627 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 44.6 t0 -60.06 -39.88 87.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.633 -1.292 . . . . 0.0 109.213 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.03 -56.53 9.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.581 -0.699 . . . . 0.0 112.638 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 3.8 mm? -76.32 -40.16 52.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.7 -1.25 . . . . 0.0 112.224 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -54.52 -27.64 39.67 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 121.138 -0.976 . . . . 0.0 108.712 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -94.91 -41.68 9.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.451 -0.781 . . . . 0.0 109.085 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.95 -37.98 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 12.9 mt -86.76 39.47 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -45.74 -40.56 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.363 -0.836 . . . . 0.0 110.589 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 19.9 m -58.62 -16.95 18.26 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 27.2 t80 -60.07 -43.48 95.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.08 -14.25 53.23 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' B' ' 43' ' ' SER . 48.4 t0 -57.2 -35.66 69.89 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.282 -0.886 . . . . 0.0 109.404 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -166.38 87.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.729 -1.232 . . . . 0.0 111.427 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.24 140.02 56.03 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.888 -1.132 . . . . 0.0 107.949 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.643 ' N ' ' O ' ' B' ' 84' ' ' ALA . 16.8 mmmt -108.85 -80.89 0.57 Allowed 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -93.95 108.64 20.42 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.15 0.976 . . . . 0.0 109.002 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.39 59.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -71.22 -39.88 71.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.514 -0.741 . . . . 0.0 109.797 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.84 56.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 108.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -40.0 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -60.37 -40.42 90.73 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 121.097 0.475 . . . . 0.0 111.498 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -69.98 -40.03 75.58 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.144 -0.972 . . . . 0.0 109.979 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.424 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.5 mp -64.12 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -25.91 68.27 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -64.21 -40.04 95.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 111.117 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.2 -38.4 75.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.656 -1.278 . . . . 0.0 110.984 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.464 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 2.9 mt -78.64 -22.73 46.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 110.567 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.8 -30.01 15.69 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.69 -1.256 . . . . 0.0 110.061 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.39 -34.47 70.42 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' B' ' 66' ' ' ASP . 48.9 t30 -151.56 56.42 0.87 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.5 -14.23 0.92 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' B' ' 64' ' ' ASN . 96.9 m-20 -85.07 0.03 52.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -1.05 . . . . 0.0 108.957 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -62.02 -150.83 0.02 OUTLIER Glycine 0 N--CA 1.48 1.581 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -145.78 154.74 42.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.246 -1.149 . . . . 0.0 111.042 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 m -139.96 142.67 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.8 t0 -128.24 -154.67 0.65 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.1 p90 -61.45 -48.8 79.49 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.297 -0.877 . . . . 0.0 112.218 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 1.039 ' CD ' ' CG2' ' A' ' 83' ' ' VAL . 63.9 tt0 -69.92 -28.02 65.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.511 -1.368 . . . . 0.0 109.047 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 29.2 mm-40 -80.83 -36.87 30.99 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 4.5 t80 -70.04 -38.47 75.84 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.417 -0.802 . . . . 0.0 109.229 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.592 ' CG1' ' HB1' ' A' ' 79' ' ' ALA . 53.7 t -76.33 -42.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.443 -0.786 . . . . 0.0 111.166 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.75 -39.99 60.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 O-C-N 121.216 -0.927 . . . . 0.0 110.493 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 110.405 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 78.3 t -72.11 -37.75 60.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.332 -0.855 . . . . 0.0 109.015 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.604 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . . . -66.56 -36.72 83.34 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.918 ' HA ' HE21 ' A' ' 72' ' ' GLN . . . -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.854 0.835 . . . . 0.0 108.821 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.07 -40.9 91.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.457 -1.402 . . . . 0.0 107.766 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 86' ' ' ASN . 1.3 m -50.06 -30.02 10.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.436 -0.79 . . . . 0.0 109.27 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 1.044 ' CG2' ' CD ' ' A' ' 72' ' ' GLN . 46.7 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.938 -1.102 . . . . 0.0 108.429 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.643 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -68.95 -21.71 64.17 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.019 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -136.11 29.93 3.05 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.573 -1.329 . . . . 0.0 108.148 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.4 p30 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 0.0 109.961 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.02 0.438 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -71.06 -42.08 69.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.896 -1.127 . . . . 0.0 110.341 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.32 -40.11 77.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.742 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.16 -39.9 88.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.355 -0.84 . . . . 0.0 109.764 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.75 91.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.178 -0.951 . . . . 0.0 110.324 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.619 ' CE ' ' HG1' ' B' ' 82' ' ' THR . 2.7 tpt -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.814 -1.179 . . . . 0.0 110.03 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.9 -36.63 77.39 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 108.793 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -60.12 -38.7 83.81 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.507 -0.746 . . . . 0.0 109.935 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.862 -1.149 . . . . 0.0 110.356 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 12' ' ' ILE . 84.0 mt -60.18 -48.76 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.509 -1.369 . . . . 0.0 110.546 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.99 -39.45 85.78 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.852 -1.155 . . . . 0.0 110.405 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.99 -38.93 78.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.043 -1.036 . . . . 0.0 110.088 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.77 -35.18 68.36 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.165 -0.959 . . . . 0.0 108.502 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -59.24 -37.64 78.06 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.33 -56.56 9.12 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 110.439 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -95.1 -48.47 5.94 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.675 -1.266 . . . . 0.0 111.283 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -73.73 -24.49 59.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.924 -1.11 . . . . 0.0 111.264 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -178.72 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' TYR . 49.5 mtmt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.204 0.526 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 64.2 m-85 -49.3 175.27 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 109.117 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -79.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.846 -1.159 . . . . 0.0 109.42 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 HD11 ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -173.48 -177.06 1.4 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.106 -0.996 . . . . 0.0 108.711 -179.418 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.463 ' H ' HD11 ' A' ' 28' ' ' LEU . 80.4 p -69.18 155.44 40.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 177.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -57.11 -49.4 76.03 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.516 -1.365 . . . . 0.0 111.676 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.65 -46.31 90.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.084 -1.635 . . . . 0.0 110.825 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.67 -40.01 91.93 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.869 -1.145 . . . . 0.0 109.08 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -56.1 -39.99 72.99 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.534 -0.729 . . . . 0.0 109.502 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HZ3' ' CG2' ' A' ' 57' ' ' ILE . 34.6 tptt -72.37 -51.95 18.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.709 -1.245 . . . . 0.0 111.306 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 51.2 t0 -57.56 -28.97 64.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.409 -1.432 . . . . 0.0 109.772 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.18 -56.09 5.31 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.77 -0.581 . . . . 0.0 110.777 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.48 -55.07 6.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.119 -0.988 . . . . 0.0 111.593 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -48.56 -25.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.131 -0.98 . . . . 0.0 108.562 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 m -80.28 -38.54 30.6 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.96 -17.18 53.6 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -96.2 33.02 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.6 m -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.696 -0.628 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 52.3 m -64.7 -26.06 68.21 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.917 -1.114 . . . . 0.0 108.958 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 57.4 m-85 -70.11 -24.21 63.16 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.622 -1.299 . . . . 0.0 107.88 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 10.7 mp -74.4 -0.96 18.96 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 43' ' ' SER . 96.2 m-20 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.293 -0.88 . . . . 0.0 109.566 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.52 90.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.212 -0.93 . . . . 0.0 109.484 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 45' ' ' LEU . 25.5 mp0 -68.69 113.26 6.02 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.382 -0.824 . . . . 0.0 110.601 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 84' ' ' ALA . 32.1 mmtp -80.57 -69.98 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -100.89 95.43 6.61 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.144 0.973 . . . . 0.0 110.462 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.5 63.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.734 -1.229 . . . . 0.0 108.672 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -70.69 -39.9 73.23 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.5 62.54 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.69 -37.9 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 47.8 t0 -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.9 -0.5 . . . . 0.0 110.587 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -67.47 -39.43 85.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.911 -1.118 . . . . 0.0 109.364 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.402 ' CG2' ' HZ3' ' A' ' 34' ' ' LYS . 83.0 mt -59.9 -40.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.566 0.698 . . . . 0.0 109.217 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.3 -35.84 81.42 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.087 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' OE1' ' CD1' ' A' ' 77' ' ' LEU . 98.9 mt-10 -60.88 -40.03 91.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 110.621 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 28.5 mt -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.077 -1.014 . . . . 0.0 109.11 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 56.0 t0 -85.41 -30.95 23.17 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 109.864 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.76 -40.01 90.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.389 -0.819 . . . . 0.0 108.86 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 13.7 p-10 -155.35 58.06 0.64 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -48.73 -27.37 6.19 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.58 0.05 57.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.98 . . . . 0.0 109.536 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.85 -154.3 1.36 Allowed Glycine 0 N--CA 1.479 1.535 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -143.94 159.25 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.335 -1.097 . . . . 0.0 111.267 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.428 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 15.7 m -133.49 146.92 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 3.8 m-20 -128.84 -152.88 0.54 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.24 -0.913 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.625 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 8.8 p90 -59.49 -48.24 82.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.828 -0.545 . . . . 0.0 111.401 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 7.0 tt0 -69.97 -31.05 68.57 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.453 -1.405 . . . . 0.0 109.656 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 53.7 mp0 -83.52 -36.59 23.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.075 -1.016 . . . . 0.0 109.648 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.441 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 9.9 t80 -70.02 -38.39 75.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 109.024 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -77.38 -44.53 30.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.067 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.562 ' HA ' HG23 ' B' ' 76' ' ' VAL . 95.8 t -71.56 -40.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 110.537 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD1' ' OE1' ' A' ' 60' ' ' GLU . 5.3 tp -71.92 -38.3 69.92 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.404 -0.81 . . . . 0.0 110.387 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 72.2 t -69.63 -39.98 78.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.94 -1.1 . . . . 0.0 108.524 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.63 83.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.15 -40.12 94.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.418 -1.426 . . . . 0.0 109.094 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.3 m -59.54 -30.6 68.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.559 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG22 ' HZ ' ' B' ' 71' ' ' PHE . 52.7 t -59.04 -39.96 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.83 -20.53 65.87 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.737 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 13.3 t -148.66 70.43 1.12 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.091 0.472 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 0.8 OUTLIER -70.86 -42.26 70.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.986 -1.071 . . . . 0.0 110.345 -179.249 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.39 -39.92 77.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.035 -1.041 . . . . 0.0 109.721 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.15 -39.96 88.19 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.439 -0.788 . . . . 0.0 109.654 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.11 89.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.202 -0.937 . . . . 0.0 110.39 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.023 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.91 -36.57 77.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.18 -0.95 . . . . 0.0 108.804 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -38.91 83.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.431 -0.793 . . . . 0.0 109.917 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.853 -1.155 . . . . 0.0 110.375 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.426 HG22 HD12 ' B' ' 12' ' ' ILE . 87.3 mt -60.08 -48.55 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.406 -1.434 . . . . 0.0 110.613 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.01 -39.36 85.57 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.884 -1.135 . . . . 0.0 110.407 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.01 -38.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.001 -1.062 . . . . 0.0 110.162 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.93 -34.9 68.44 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -59.32 -37.86 78.85 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.09 -56.72 8.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.128 -0.982 . . . . 0.0 110.433 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.0 -48.73 5.86 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 120.653 -1.279 . . . . 0.0 111.25 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -73.5 -24.53 60.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.924 -1.11 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.412 0 C-N-CA 119.531 -1.319 . . . . 0.0 110.275 -178.735 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 26' ' ' TYR . 49.4 mtmt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 25' ' ' LYS . 64.2 m-85 -49.17 175.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.14 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.764 -1.21 . . . . 0.0 109.374 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.468 HD11 ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -173.05 -177.12 1.51 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.034 -1.041 . . . . 0.0 108.736 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.468 ' H ' HD11 ' B' ' 28' ' ' LEU . 77.3 p -69.07 155.42 40.39 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 177.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -57.08 -49.53 75.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.516 -1.365 . . . . 0.0 111.565 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.417 ' HZ3' ' CB ' ' B' ' 61' ' ' LEU . 25.2 mmtm -60.68 -46.38 90.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.127 -1.608 . . . . 0.0 110.862 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -65.62 -39.97 92.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.877 -1.139 . . . . 0.0 109.031 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.446 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -56.03 -39.99 72.8 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.558 -0.714 . . . . 0.0 109.542 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HZ1' ' CG2' ' B' ' 57' ' ' ILE . 33.4 tptt -72.28 -52.18 17.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.815 -1.178 . . . . 0.0 111.265 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 51.5 t0 -57.47 -28.91 63.81 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.423 -1.423 . . . . 0.0 109.788 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.15 -56.06 5.35 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.694 -0.628 . . . . 0.0 110.775 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.46 -55.13 5.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.199 -0.938 . . . . 0.0 111.627 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.33 -25.85 1.77 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.239 -0.913 . . . . 0.0 108.537 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 13.2 m -80.01 -38.76 31.38 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.97 -16.99 54.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 mt -96.17 32.66 1.89 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.95 -40.07 87.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.663 -0.648 . . . . 0.0 110.711 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 53.5 m -64.62 -26.08 68.24 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.831 -1.168 . . . . 0.0 108.943 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.564 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 57.7 m-85 -70.27 -23.89 62.96 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.468 -1.293 . . . . 0.0 107.915 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 48' ' ' GLN . 10.6 mp -74.52 -1.1 19.89 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' B' ' 43' ' ' SER . 96.0 m-20 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.753 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.43 90.52 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.173 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 45' ' ' LEU . 25.7 mp0 -68.96 113.28 6.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.709 0.766 . . . . 0.0 110.547 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' B' ' 84' ' ' ALA . 32.4 mmtp -80.47 -70.05 0.55 Allowed 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.8 95.51 6.69 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-O 122.159 0.98 . . . . 0.0 110.489 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.8 63.88 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.769 -1.207 . . . . 0.0 108.742 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -70.64 -39.9 73.38 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.8 62.1 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.292 -0.88 . . . . 0.0 109.498 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.88 -37.83 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 47.8 t0 -60.04 -40.03 87.96 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.963 -0.461 . . . . 0.0 110.621 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -39.54 86.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.484 ' CG2' ' HZ1' ' B' ' 34' ' ' LYS . 77.9 mt -60.07 -40.0 82.01 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.542 0.687 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttm -65.96 -35.96 82.03 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -60.02 -40.07 88.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.142 -0.974 . . . . 0.0 110.208 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' B' ' 77' ' ' LEU . 99.0 mt-10 -61.16 -40.04 92.37 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.253 -0.904 . . . . 0.0 110.525 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 30.2 mt -59.6 -27.44 66.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.109 -0.995 . . . . 0.0 109.168 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 57.4 t0 -85.69 -30.76 22.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.354 -0.841 . . . . 0.0 109.743 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.9 -40.03 91.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.352 -0.843 . . . . 0.0 108.807 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' B' ' 64' ' ' ASN . 13.6 p-10 -155.31 58.03 0.64 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -48.57 -27.57 6.09 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.57 0.05 57.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.485 -1.009 . . . . 0.0 109.563 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -70.96 -154.21 1.37 Allowed Glycine 0 N--CA 1.479 1.551 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -144.1 159.17 43.09 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.401 -1.058 . . . . 0.0 111.361 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.429 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 16.7 m -133.55 146.87 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.489 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 3.6 m-20 -128.73 -152.84 0.54 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 9.0 p90 -59.51 -47.99 83.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.712 -0.617 . . . . 0.0 111.453 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.624 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 7.0 tt0 -70.09 -31.1 68.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.456 -1.402 . . . . 0.0 109.566 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 54.6 mp0 -83.57 -36.56 23.88 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.965 -1.084 . . . . 0.0 109.737 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.464 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 8.9 t80 -70.05 -38.41 75.81 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 109.037 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.2 -44.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.12 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.562 HG23 ' HA ' ' A' ' 76' ' ' VAL . 97.3 t -71.48 -40.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.343 -0.848 . . . . 0.0 110.515 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.402 ' CD1' ' OE1' ' B' ' 60' ' ' GLU . 5.4 tp -72.09 -38.05 69.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 75.6 t -69.57 -40.04 79.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.985 -1.072 . . . . 0.0 108.525 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.89 87.94 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.77 83.48 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.33 -39.9 94.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.383 -1.448 . . . . 0.0 109.021 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.619 ' HG1' ' CE ' ' A' ' 8' ' ' MET . 32.0 m -59.49 -30.44 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 0.0 109.445 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.548 HG22 ' HZ ' ' A' ' 71' ' ' PHE . 55.6 t -59.23 -39.95 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.95 -20.36 65.82 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.773 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 12.1 t -148.75 70.54 1.12 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.801 -1.187 . . . . 0.0 107.89 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.795 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.346 0.593 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -79.11 -50.25 11.32 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.25 -39.57 93.29 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.0 109.948 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.09 -40.12 92.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.438 -0.789 . . . . 0.0 110.122 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.18 90.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 110.354 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.94 93.27 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.035 -1.041 . . . . 0.0 109.433 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.8 -38.06 86.7 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.137 -0.977 . . . . 0.0 109.678 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -59.75 -40.19 87.31 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 110.124 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 87.1 mt -60.14 -40.76 90.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.98 -1.075 . . . . 0.0 110.409 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.1 -40.65 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.423 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.22 -40.28 95.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.5 t -73.8 -31.46 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.745 -1.222 . . . . 0.0 110.893 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.0 m-30 -55.91 -39.83 72.19 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.57 ' O ' ' N ' ' A' ' 20' ' ' GLY . 7.2 m-70 -62.93 -24.99 68.12 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.54 73.4 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.011 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -90.41 -14.79 32.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.228 -0.92 . . . . 0.0 111.382 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 m -137.76 11.75 2.92 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.679 -1.263 . . . . 0.0 111.718 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.46 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mttp . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -51.67 168.04 0.09 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.845 -1.159 . . . . 0.0 108.133 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -67.28 -80.33 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.978 -1.077 . . . . 0.0 109.744 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD1' ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -173.18 -178.2 1.7 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 -178.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.472 ' H ' ' CD1' ' A' ' 28' ' ' LEU . 97.1 p -69.1 157.35 37.03 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -59.34 -48.28 82.24 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.695 -1.253 . . . . 0.0 112.304 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -60.55 -44.64 95.91 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 119.842 -1.786 . . . . 0.0 111.716 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.44 -40.83 73.53 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.663 -1.273 . . . . 0.0 108.858 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -48.93 -51.45 30.11 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.516 0.674 . . . . 0.0 109.755 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -65.11 -40.23 94.23 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.552 -1.342 . . . . 0.0 111.913 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' A' ' 39' ' ' THR . 92.0 m-20 -59.65 -34.93 73.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.493 -1.38 . . . . 0.0 109.062 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 mt -72.25 -55.32 7.4 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.87 -42.45 63.65 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 119.601 -1.937 . . . . 0.0 111.245 -178.04 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 17.3 m -74.47 -39.79 62.27 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.435 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.03 -17.53 52.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.884 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 mt -100.98 32.95 2.99 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.141 -0.974 . . . . 0.0 108.653 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.585 0.707 . . . . 0.0 110.279 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -61.25 -26.82 68.02 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.517 -0.739 . . . . 0.0 110.087 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 32.2 m-85 -70.08 -19.91 63.24 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.78 -8.72 57.54 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 30.5 p-10 -48.91 -43.15 39.02 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.424 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.509 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 1.5 m -152.09 88.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.86 . . . . 0.0 109.275 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -68.43 111.36 4.62 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.022 -1.049 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.676 ' N ' ' O ' ' A' ' 84' ' ' ALA . 43.5 mmtm -79.53 -68.04 0.7 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -93.46 90.4 6.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 122.169 0.985 . . . . 0.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.57 -17.37 62.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.462 -0.774 . . . . 0.0 109.069 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.87 -38.41 76.39 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 121.626 -0.671 . . . . 0.0 109.605 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.55 60.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.213 -0.929 . . . . 0.0 109.96 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -39.16 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.1 -40.56 90.1 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.26 0.552 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.2 -41.18 98.12 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.124 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 57' ' ' ILE . 77.6 mt -60.35 -41.02 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.611 -0.681 . . . . 0.0 109.74 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -56.68 -34.29 67.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.078 -1.014 . . . . 0.0 109.028 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.41 -39.78 91.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.04 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.48 -39.04 88.55 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.026 -1.046 . . . . 0.0 110.626 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 15.8 mt -69.64 -26.44 64.41 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 110.887 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -88.95 -37.04 15.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.552 -1.342 . . . . 0.0 110.305 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.4 -33.39 71.33 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' GLY . 26.5 m120 -145.5 45.59 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.396 -0.815 . . . . 0.0 109.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.26 -31.17 19.38 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.93 -0.3 56.81 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.474 -1.015 . . . . 0.0 108.484 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -65.57 -149.94 0.08 OUTLIER Glycine 0 N--CA 1.477 1.418 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -154.07 155.24 35.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.112 . . . . 0.0 110.967 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.0 m -133.82 153.27 36.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.531 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 15.7 m-20 -127.54 -158.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.575 -0.703 . . . . 0.0 109.449 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 33.3 p90 -59.48 -49.42 77.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.703 -0.623 . . . . 0.0 112.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.684 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.9 tt0 -69.99 -27.29 64.59 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.344 -1.472 . . . . 0.0 109.591 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 40.4 mt-10 -81.7 -38.97 24.98 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.756 0.789 . . . . 0.0 109.121 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -69.72 -38.51 76.92 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.461 -0.775 . . . . 0.0 109.228 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.34 -41.35 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.502 -0.749 . . . . 0.0 110.835 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.1 t -69.84 -40.61 79.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.147 -0.971 . . . . 0.0 109.46 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.87 -38.03 79.46 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.417 -0.802 . . . . 0.0 110.545 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.17 -40.17 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.903 -1.123 . . . . 0.0 109.282 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.57 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.23 -36.03 82.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.324 -1.485 . . . . 0.0 109.141 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -61.03 -36.84 80.61 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.086 -1.009 . . . . 0.0 109.462 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -39.66 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -60.78 -24.58 65.88 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.404 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.536 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 18.1 t -144.46 60.68 1.34 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' ASN . 9.4 p-10 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.812 -1.18 . . . . 0.0 108.568 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.255 0.55 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.24 -49.82 11.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.576 -0.703 . . . . 0.0 110.581 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -61.93 -40.03 94.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.96 -1.088 . . . . 0.0 109.914 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.54 -40.91 93.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.838 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.78 91.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.498 -0.751 . . . . 0.0 110.42 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.12 92.73 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.181 -0.949 . . . . 0.0 109.514 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.25 -37.96 84.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.694 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.7 m -59.84 -39.5 85.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.268 -0.895 . . . . 0.0 109.981 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.2 mt -60.54 -41.07 93.74 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.882 -1.136 . . . . 0.0 110.596 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.87 -42.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.017 -1.052 . . . . 0.0 110.233 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.84 -40.35 92.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.017 -1.052 . . . . 0.0 111.454 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' ALA . 25.4 t -73.58 -33.43 39.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 120.549 -1.344 . . . . 0.0 110.596 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.3 m-30 -54.11 -39.94 66.86 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' B' ' 20' ' ' GLY . 6.1 m-70 -61.94 -26.8 68.41 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -59.8 -47.91 83.82 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.569 -1.332 . . . . 0.0 109.398 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -92.5 -14.14 28.83 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.965 -1.084 . . . . 0.0 111.168 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -138.5 11.85 2.75 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.132 -0.98 . . . . 0.0 111.54 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.502 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -50.98 168.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.997 -1.064 . . . . 0.0 108.369 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' HZ3' HD22 ' B' ' 33' ' ' LEU . 23.6 tptp -68.35 -80.97 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.677 -1.265 . . . . 0.0 109.975 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.477 ' CD1' ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -171.23 -178.81 2.49 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.106 -0.996 . . . . 0.0 109.231 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.477 ' H ' ' CD1' ' B' ' 28' ' ' LEU . 97.7 p -69.56 156.96 38.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -59.1 -49.17 78.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.431 -1.418 . . . . 0.0 112.359 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -59.91 -44.17 94.45 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.755 -1.841 . . . . 0.0 111.633 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.51 -41.05 73.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.539 -1.351 . . . . 0.0 109.102 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.453 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -49.12 -50.74 35.86 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.306 0.574 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HZ1' HD23 ' B' ' 81' ' ' LEU . 6.9 tptm -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 120.762 -1.211 . . . . 0.0 111.424 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' B' ' 39' ' ' THR . 92.8 m-20 -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.738 -1.226 . . . . 0.0 109.4 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.52 -54.08 10.24 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -73.17 -42.4 62.79 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.018 -1.676 . . . . 0.0 111.243 -177.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.57 -29.17 67.76 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 21.5 m -74.45 -39.56 62.46 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.659 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.01 -19.11 48.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.494 -0.754 . . . . 0.0 109.268 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -99.53 32.84 2.66 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.196 -0.94 . . . . 0.0 109.053 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.085 -1.009 . . . . 0.0 110.365 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 85.1 p -63.31 -24.87 68.05 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.397 -0.815 . . . . 0.0 109.515 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.537 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 32.9 m-85 -71.13 -19.67 62.41 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.26 -7.17 54.32 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 29.5 p-10 -49.94 -43.77 50.06 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.237 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.496 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 1.2 m -151.84 89.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.876 -1.14 . . . . 0.0 109.041 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.97 111.89 5.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.937 . . . . 0.0 109.738 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.701 ' N ' ' O ' ' B' ' 84' ' ' ALA . 45.0 mmtm -79.83 -69.97 0.55 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.89 90.19 7.35 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 122.276 1.036 . . . . 0.0 109.995 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.85 62.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.59 -39.17 77.47 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.78 -0.575 . . . . 0.0 109.842 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.74 64.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -39.07 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.43 -41.24 93.58 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.575 0.703 . . . . 0.0 110.196 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.58 -41.6 97.63 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.11 -0.994 . . . . 0.0 109.783 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.41 HD11 HG21 ' B' ' 57' ' ' ILE . 75.0 mt -60.14 -40.65 84.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.472 -0.768 . . . . 0.0 109.363 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -56.87 -35.55 69.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.129 -0.982 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.46 -40.5 91.43 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 110.567 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.62 -39.19 91.21 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.731 -1.231 . . . . 0.0 110.637 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 17.3 mt -69.47 -26.77 64.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.707 -1.245 . . . . 0.0 110.913 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -88.06 -37.95 15.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.672 -1.268 . . . . 0.0 110.501 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.59 0.71 . . . . 0.0 109.425 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' B' ' 67' ' ' GLY . 24.1 m120 -145.94 45.41 1.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.85 -32.39 18.38 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -86.19 -1.67 57.66 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -65.39 -150.24 0.08 OUTLIER Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -152.52 156.62 39.75 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.346 1.07 . . . . 0.0 111.071 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.42 153.51 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 14.7 m-20 -127.63 -158.0 0.85 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.717 0.77 . . . . 0.0 109.455 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 34.5 p90 -60.53 -49.44 77.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.898 -0.502 . . . . 0.0 111.882 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.692 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 65.4 tt0 -70.42 -26.49 63.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.336 -1.478 . . . . 0.0 109.364 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.538 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 43.0 mt-10 -81.67 -39.49 24.29 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.298 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.489 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -69.12 -38.8 79.06 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.458 0.646 . . . . 0.0 109.352 179.138 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -73.63 -41.16 55.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.276 -0.89 . . . . 0.0 110.862 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.4 t -70.3 -39.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.84 -38.44 76.52 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.849 -0.532 . . . . 0.0 110.219 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.78 -40.62 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.751 -1.218 . . . . 0.0 108.734 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.02 88.42 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.9 85.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.427 HD23 ' HZ1' ' B' ' 34' ' ' LYS . 86.9 mt -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.431 -1.418 . . . . 0.0 108.999 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -60.37 -36.97 79.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.439 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.425 HG11 ' N ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -59.86 -39.02 78.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.701 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -60.9 -24.27 65.86 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 121.07 -1.019 . . . . 0.0 109.569 -179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.537 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 22.9 t -144.93 61.83 1.31 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' B' ' 86' ' ' ASN . 7.5 p-10 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 120.734 0.302 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 69.5 mt -73.53 -40.84 63.7 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.766 -1.209 . . . . 0.0 110.495 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.731 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 87.6 tt0 -61.96 -41.97 98.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.006 -1.059 . . . . 0.0 110.339 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.5 m -62.85 -40.03 96.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 111.064 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.1 76.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.992 -1.068 . . . . 0.0 111.176 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 tpt -59.98 -43.32 95.19 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.22 -39.94 88.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.022 -1.049 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -39.02 84.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.643 . . . . 0.0 110.275 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 110.114 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.94 -46.08 94.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.889 -1.132 . . . . 0.0 110.098 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.04 -40.88 95.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 111.708 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG1' HD23 ' B' ' 4' ' ' LEU . 79.1 t -60.82 -40.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 120.359 -1.463 . . . . 0.0 110.953 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.96 -33.35 64.7 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 20' ' ' GLY . 42.8 t-80 -57.86 -31.68 66.93 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.86 39.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.3 -41.0 64.07 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.894 -1.129 . . . . 0.0 110.807 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 3.4 m -103.67 19.89 19.01 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.962 -1.086 . . . . 0.0 111.053 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.486 2.01 0 C-N-CA 118.396 -1.859 . . . . 0.0 109.712 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 26' ' ' TYR . 97.6 mttt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' LYS . 84.7 m-85 -47.85 173.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.537 -0.727 . . . . 0.0 109.047 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' O ' ' OG ' ' A' ' 19' ' ' SER . 26.7 tptt -54.21 -76.85 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.666 -1.271 . . . . 0.0 108.898 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -171.31 -178.86 2.48 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.369 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' LEU . 4.3 m -70.04 155.28 40.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.467 -1.396 . . . . 0.0 109.622 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -59.9 -45.16 93.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLY . 41.8 tptt -70.13 -41.61 73.68 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.15 -0.969 . . . . 0.0 109.29 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -69.97 -37.67 75.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 108.922 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.0 tm? -55.24 -44.62 75.68 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.063 -1.023 . . . . 0.0 109.353 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -66.63 -47.85 71.3 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.415 -1.428 . . . . 0.0 112.41 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 60.7 t0 -60.16 -40.09 88.69 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.444 -1.41 . . . . 0.0 110.047 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.77 -54.6 15.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.686 -0.634 . . . . 0.0 112.468 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.25 -39.97 74.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.636 -1.29 . . . . 0.0 111.722 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.47 -29.06 67.55 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.682 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -79.05 -43.69 23.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.718 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 80.4 tt0 -60.34 -39.33 86.71 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 44' ' ' PHE . 41.7 mt -89.83 37.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -48.11 -38.6 18.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 109.578 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' ASP . 27.6 t -56.81 -16.22 6.19 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.505 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 16.6 t80 -50.89 -38.6 50.65 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.61 -11.7 54.65 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 15.2 p-10 -58.12 -42.82 86.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.447 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 6.7 m -159.43 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.242 -0.911 . . . . 0.0 110.174 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 9.3 pt20 -69.06 116.31 9.36 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.8 mmmp? -90.61 -80.12 0.34 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.382 -0.824 . . . . 0.0 110.526 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.62 101.09 11.91 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.034 -1.041 . . . . 0.0 110.276 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.56 60.83 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.97 -40.03 75.61 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.05 61.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.229 -0.919 . . . . 0.0 108.757 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -36.4 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.0 -41.3 91.79 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 121.525 -0.734 . . . . 0.0 109.471 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.6 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.38 -0.825 . . . . 0.0 109.115 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.0 -43.39 92.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.731 -0.606 . . . . 0.0 110.965 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.0 mmt -60.55 -29.84 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 109.392 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -64.6 -40.06 94.83 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.36 -40.15 89.6 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.823 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 65' ' ' GLY . 4.6 mt -72.97 -26.9 61.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.928 -1.107 . . . . 0.0 109.181 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.93 -40.02 75.77 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.13 -39.85 87.72 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' ND2' ' CA ' ' A' ' 67' ' ' GLY . 64.0 t30 -154.24 70.81 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.95 -31.85 73.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 31.4 p-10 -84.58 0.59 49.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.996 . . . . 0.0 109.229 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' CA ' ' ND2' ' A' ' 64' ' ' ASN . . . -61.38 -149.71 0.01 OUTLIER Glycine 0 N--CA 1.48 1.569 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.31 159.84 43.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.467 -1.019 . . . . 0.0 110.153 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.59 148.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 27.1 t0 -122.31 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.125 -0.985 . . . . 0.0 110.228 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -60.56 -49.14 78.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.586 -0.696 . . . . 0.0 111.355 -178.062 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.617 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 tm0? -70.25 -28.31 65.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.887 -1.133 . . . . 0.0 110.072 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 39.6 mt-10 -80.78 -35.14 33.56 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.288 -0.882 . . . . 0.0 108.695 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 7.5 t80 -69.44 -39.12 78.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 109.185 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.568 ' CG1' HG13 ' B' ' 75' ' ' VAL . 53.2 t -75.1 -40.37 44.45 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.072 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.341 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.48 -40.92 64.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 121.312 -0.867 . . . . 0.0 110.503 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.13 -39.9 68.47 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.491 -0.755 . . . . 0.0 110.384 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.58 -39.37 78.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.82 83.65 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.91 -23.34 63.21 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.93 0.871 . . . . 0.0 108.863 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -80.36 -35.98 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.647 -1.283 . . . . 0.0 109.488 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' CYS . 83.6 m -69.93 -39.7 75.96 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.018 -1.051 . . . . 0.0 109.656 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.4 p -57.11 -37.17 54.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.29 -23.66 67.52 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 48.6 t -145.15 64.92 1.26 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.708 0.766 . . . . 0.0 110.211 -177.236 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.785 0.326 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.484 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 68.7 mt -73.48 -41.04 63.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.779 -1.201 . . . . 0.0 110.476 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.718 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 86.4 tt0 -61.38 -42.32 98.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.98 -1.075 . . . . 0.0 110.475 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.71 -40.05 95.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.01 77.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 111.184 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.92 -43.62 94.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.912 -1.117 . . . . 0.0 110.506 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -40.1 88.21 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.971 -1.081 . . . . 0.0 109.282 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.614 -0.679 . . . . 0.0 110.152 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.73 -40.03 86.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.118 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -45.95 95.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.881 -1.137 . . . . 0.0 110.13 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.25 -40.66 94.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.017 -1.052 . . . . 0.0 111.682 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.474 ' CG1' HD22 ' A' ' 4' ' ' LEU . 67.4 t -61.1 -39.93 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.342 -1.474 . . . . 0.0 110.9 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -55.9 -33.32 64.53 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' B' ' 20' ' ' GLY . 43.0 t-80 -57.76 -31.91 66.96 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -61.1 -54.48 44.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.45 -40.86 63.85 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.85 -1.156 . . . . 0.0 110.866 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 3.4 m -103.73 19.84 19.15 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.928 -1.107 . . . . 0.0 111.165 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.972 0 C-N-CA 118.605 -1.76 . . . . 0.0 109.743 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 26' ' ' TYR . 97.7 mttt . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.435 ' O ' ' O ' ' B' ' 25' ' ' LYS . 83.8 m-85 -47.96 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.45 -0.781 . . . . 0.0 109.122 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' O ' ' OG ' ' B' ' 19' ' ' SER . 27.0 tptt -54.07 -77.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.431 -1.308 . . . . 0.0 109.021 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -171.1 -178.52 2.47 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.407 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 33' ' ' LEU . 4.2 m -70.42 155.33 40.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.399 -1.438 . . . . 0.0 109.625 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.03 -44.81 94.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.972 -1.08 . . . . 0.0 108.785 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' GLY . 42.8 tptt -70.16 -41.89 73.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.276 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -69.94 -37.44 75.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.476 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.1 tm? -55.43 -44.6 76.44 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.083 -1.01 . . . . 0.0 109.268 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -66.43 -48.25 70.6 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.454 -1.404 . . . . 0.0 112.329 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 61.0 t0 -60.19 -40.0 88.47 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.46 -1.4 . . . . 0.0 110.08 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.85 -54.4 15.89 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.637 -0.664 . . . . 0.0 112.446 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.42 -39.85 74.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.601 -1.312 . . . . 0.0 111.676 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -59.66 -28.82 67.59 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 119.368 -0.933 . . . . 0.0 108.7 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -79.04 -43.65 23.81 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.731 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 78.9 tt0 -60.36 -39.29 86.66 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 44' ' ' PHE . 44.6 mt -89.99 37.49 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.2 t -47.97 -39.27 18.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.787 . . . . 0.0 109.577 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 27.2 t -56.74 -16.05 5.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 15.8 t80 -51.03 -38.82 53.75 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.97 -12.24 53.47 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 15.2 p-10 -57.98 -43.03 86.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.093 -1.004 . . . . 0.0 109.628 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.574 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 6.9 m -159.22 93.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.939 . . . . 0.0 110.114 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' B' ' 48' ' ' GLN . 8.8 pt20 -69.16 116.17 9.3 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' B' ' 84' ' ' ALA . 1.7 mmmp? -90.83 -80.0 0.35 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.424 -0.797 . . . . 0.0 110.461 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.47 101.21 12.09 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.083 -1.01 . . . . 0.0 110.185 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.68 -16.54 60.76 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.688 -0.633 . . . . 0.0 109.391 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.2 60.63 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.276 -0.89 . . . . 0.0 108.836 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -36.48 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -41.15 91.87 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.579 -0.7 . . . . 0.0 109.335 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.76 -39.99 95.6 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.903 0.859 . . . . 0.0 109.103 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.13 -43.08 92.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.611 -0.681 . . . . 0.0 111.009 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.73 -29.8 69.59 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.79 -40.03 94.58 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.508 -0.745 . . . . 0.0 110.291 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.34 -40.04 89.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.692 -1.255 . . . . 0.0 110.844 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 65' ' ' GLY . 4.6 mt -73.0 -26.88 61.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.928 -1.107 . . . . 0.0 109.11 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.1 -40.04 75.18 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.88 -40.1 87.53 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 64.1 t30 -154.16 70.59 0.81 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.95 -31.49 72.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 29.8 p-10 -84.79 0.49 50.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.447 -1.031 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.435 ' CA ' ' ND2' ' B' ' 64' ' ' ASN . . . -61.68 -149.43 0.02 OUTLIER Glycine 0 N--CA 1.481 1.647 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.25 159.9 43.12 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.478 -1.013 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.58 148.21 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 26.9 t0 -122.36 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.1 p90 -60.53 -49.22 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.591 -0.693 . . . . 0.0 111.37 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 9.7 tm0? -70.1 -28.54 65.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.899 -1.126 . . . . 0.0 110.096 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.474 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 37.8 mt-10 -80.82 -34.75 33.69 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.11 -0.994 . . . . 0.0 108.724 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 6.2 t80 -69.89 -38.93 76.48 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.844 0.83 . . . . 0.0 109.171 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.568 HG13 ' CG1' ' A' ' 75' ' ' VAL . 50.3 t -75.24 -40.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.062 0 O-C-N 121.51 -0.744 . . . . 0.0 111.378 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.62 -40.74 62.71 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.144 -0.973 . . . . 0.0 110.565 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.28 -39.67 68.17 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 110.273 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.99 -38.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.77 84.08 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.465 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -70.06 -23.66 63.12 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.787 0.803 . . . . 0.0 108.886 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 tp -79.97 -35.94 36.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 109.429 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' C ' ' B' ' 85' ' ' CYS . 86.4 m -70.03 -39.92 75.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.965 -1.085 . . . . 0.0 109.613 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.465 HG13 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -56.55 -37.58 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.08 -23.48 67.46 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 48.6 t -145.6 64.74 1.24 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.714 0.768 . . . . 0.0 110.184 -177.213 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.0 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.108 0.48 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.679 ' HG ' ' CD2' ' B' ' 37' ' ' LEU . 2.8 mm? -78.39 -51.88 9.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.068 -1.02 . . . . 0.0 110.58 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.97 -39.92 87.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.28 -0.888 . . . . 0.0 109.416 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -39.97 87.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.217 -0.927 . . . . 0.0 109.929 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.69 89.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.236 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.444 ' HE2' ' OG1' ' B' ' 82' ' ' THR . 0.1 OUTLIER -61.12 -39.76 91.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.098 -1.001 . . . . 0.0 109.468 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.97 -39.42 85.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 0.0 109.316 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -59.79 -37.58 79.52 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 80.0 mt -58.28 -36.38 73.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.443 -0.786 . . . . 0.0 109.305 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mm -60.05 -40.09 82.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 120.978 -1.077 . . . . 0.0 108.816 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.15 -28.47 65.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.186 -0.946 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.871 -1.143 . . . . 0.0 110.411 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' SER . 10.0 m-85 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.509 -0.745 . . . . 0.0 109.165 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.09 -39.25 85.48 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.89 4.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.317 -0.864 . . . . 0.0 112.527 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.26 -0.01 33.66 Favored 'General case' 0 N--CA 1.514 2.739 0 O-C-N 120.725 -1.234 . . . . 0.0 112.05 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.5 m -139.19 12.41 2.6 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.613 -1.305 . . . . 0.0 109.864 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.776 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.193 0.521 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.8 p90 -54.16 165.61 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 26' ' ' TYR . 43.9 tptt -50.76 -91.79 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.62 -1.3 . . . . 0.0 109.667 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 176.41 -176.27 0.12 Allowed 'General case' 0 N--CA 1.511 2.625 0 O-C-N 120.916 -1.115 . . . . 0.0 110.667 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -49.3 144.55 5.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.684 -1.26 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -62.49 -42.04 99.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.481 -0.762 . . . . 0.0 112.2 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -62.91 -42.14 99.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.362 -1.461 . . . . 0.0 110.285 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.66 -31.35 68.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.055 -1.028 . . . . 0.0 109.364 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.1 tm? -59.99 -43.73 94.97 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 109.281 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.635 ' HZ3' ' CE ' ' A' ' 58' ' ' MET . 3.9 tmtp? -66.22 -53.03 42.0 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.721 -1.237 . . . . 0.0 112.123 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.01 84.63 Favored 'General case' 0 C--N 1.289 -2.039 0 O-C-N 120.634 -1.291 . . . . 0.0 110.113 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.59 -56.46 15.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.562 -0.711 . . . . 0.0 112.229 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.672 ' CD2' ' HG ' ' B' ' 4' ' ' LEU . 87.7 mt -75.62 -35.82 60.38 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.396 -1.44 . . . . 0.0 112.366 -177.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.3 -32.83 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 120.869 -1.144 . . . . 0.0 108.376 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.9 m -73.65 -41.18 63.06 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.072 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' B' ' 4' ' ' LEU . 33.0 tp10 -69.95 -38.56 76.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -0.818 . . . . 0.0 108.899 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.4 mt -87.36 34.15 0.69 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -60.17 -39.98 88.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.639 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.6 t -58.61 -30.33 67.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.111 -0.993 . . . . 0.0 108.431 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.4 m-85 -69.74 -34.95 74.54 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.34 -1.5 4.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 44' ' ' PHE . 57.8 t0 -59.98 -42.61 94.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.0 108.915 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.65 87.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.234 -0.917 . . . . 0.0 109.714 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -68.93 117.86 11.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.176 -0.952 . . . . 0.0 108.931 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 84' ' ' ALA . 67.1 mmtt -80.01 -69.88 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -98.35 87.78 3.97 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.167 0.984 . . . . 0.0 108.371 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.55 64.83 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -68.28 -39.74 82.04 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.59 77.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.978 -1.076 . . . . 0.0 108.356 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -35.53 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.9 -40.01 91.48 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.784 -0.572 . . . . 0.0 111.266 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 4.1 mptp? -67.76 -40.03 84.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.957 -1.09 . . . . 0.0 109.664 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.95 -41.51 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.635 ' CE ' ' HZ3' ' A' ' 34' ' ' LYS . 37.6 mtt -63.0 -25.82 68.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -60.36 -40.78 91.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 110.629 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 50.4 mp0 -70.39 -39.78 74.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -72.09 -23.63 61.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.045 -1.034 . . . . 0.0 110.162 -178.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.58 -30.24 18.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.587 -1.321 . . . . 0.0 109.257 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -83.59 -25.59 30.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.551 -0.718 . . . . 0.0 109.464 -179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' OD1' ' OE2' ' A' ' 63' ' ' GLU . 7.0 m120 -139.66 37.74 2.02 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.98 -29.16 13.82 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -79.02 -5.04 52.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.409 -1.053 . . . . 0.0 109.38 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.86 -160.64 9.54 Favored Glycine 0 N--CA 1.475 1.261 0 N-CA-C 108.669 -1.773 . . . . 0.0 108.669 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.44 159.99 41.38 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.605 -0.938 . . . . 0.0 110.132 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -129.07 149.35 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 27.5 t0 -120.95 -161.8 0.92 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.418 -0.801 . . . . 0.0 109.994 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -60.06 -48.42 81.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.355 -0.84 . . . . 0.0 111.745 -177.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.806 ' OE1' ' HB ' ' B' ' 83' ' ' VAL . 62.1 tt0 -70.01 -29.15 66.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 109.49 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 27.1 mt-10 -77.36 -39.78 46.24 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.371 -0.831 . . . . 0.0 109.458 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -35.0 74.17 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.493 -0.754 . . . . 0.0 109.116 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.437 ' CG1' ' HB1' ' B' ' 79' ' ' ALA . 46.2 t -73.39 -40.6 56.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.648 -0.657 . . . . 0.0 110.873 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.58 -40.07 70.78 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.523 -0.736 . . . . 0.0 110.254 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -70.7 -40.18 73.01 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.71 -0.619 . . . . 0.0 110.7 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.05 -40.05 66.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.642 -0.662 . . . . 0.0 110.054 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.11 89.87 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 tt -60.58 -40.15 90.67 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.893 -1.13 . . . . 0.0 109.789 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.455 ' OG1' ' HE2' ' B' ' 8' ' ' MET . 58.8 m -60.01 -39.83 87.16 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.062 -1.023 . . . . 0.0 109.388 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.834 ' HB ' ' OE1' ' B' ' 72' ' ' GLN . 1.3 p -53.8 -33.39 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 108.869 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -67.43 -21.61 65.56 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 32.2 t -139.69 57.98 1.62 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 p30 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.65 -1.281 . . . . 0.0 108.922 -179.34 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 56.3 mp0 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.123 0.487 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.672 ' HG ' ' CD2' ' A' ' 37' ' ' LEU . 3.1 mm? -78.53 -51.64 9.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 110.659 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.274 -0.891 . . . . 0.0 109.428 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.09 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.902 . . . . 0.0 109.74 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.936 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.455 ' HE2' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -60.64 -39.86 89.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.97 -39.48 85.83 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.275 -0.891 . . . . 0.0 109.472 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.75 -37.51 79.17 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.412 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 76.8 mt -58.67 -36.18 73.75 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.081 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.94 -40.14 82.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.838 -1.164 . . . . 0.0 108.817 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -70.03 -28.4 65.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.171 -0.955 . . . . 0.0 110.735 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.13 -49.31 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.789 -1.194 . . . . 0.0 110.503 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' B' ' 19' ' ' SER . 10.1 m-85 -68.9 -27.3 65.65 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.408 -0.808 . . . . 0.0 109.112 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.11 -38.91 84.42 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.39 -58.08 4.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.118 -0.989 . . . . 0.0 112.367 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -101.89 -0.17 34.44 Favored 'General case' 0 N--CA 1.514 2.765 0 O-C-N 120.7 -1.25 . . . . 0.0 112.201 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.5 m -139.08 12.87 2.63 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.688 -1.258 . . . . 0.0 109.892 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.598 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 37.0 p90 -54.17 165.74 0.47 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 26' ' ' TYR . 43.3 tptt -50.77 -91.44 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.539 -1.351 . . . . 0.0 109.637 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 176.09 -176.3 0.12 Allowed 'General case' 0 N--CA 1.514 2.726 0 O-C-N 120.876 -1.14 . . . . 0.0 110.657 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -49.07 144.83 4.54 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.727 -1.233 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.402 -0.811 . . . . 0.0 112.219 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.9 -41.94 99.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.361 -1.462 . . . . 0.0 110.296 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.77 -31.45 68.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.072 -1.018 . . . . 0.0 109.391 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.1 tm? -59.79 -43.95 94.16 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.967 -1.083 . . . . 0.0 109.377 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.438 ' HZ2' ' HG2' ' B' ' 58' ' ' MET . 3.9 tmtp? -66.15 -53.07 42.16 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.725 -1.234 . . . . 0.0 112.164 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.89 -39.06 84.07 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 120.577 -1.327 . . . . 0.0 110.083 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.76 -56.3 16.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.547 -0.72 . . . . 0.0 112.2 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.679 ' CD2' ' HG ' ' A' ' 4' ' ' LEU . 90.2 mt -75.58 -36.2 60.42 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.297 -1.502 . . . . 0.0 112.419 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -53.17 -32.74 49.36 Favored 'General case' 0 C--N 1.284 -2.25 0 O-C-N 121.052 -1.03 . . . . 0.0 108.325 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 71.9 m -73.58 -41.15 63.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.488 -0.758 . . . . 0.0 108.992 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 4' ' ' LEU . 32.5 tp10 -70.1 -38.67 75.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 108.896 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 70.3 mt -87.2 34.05 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.824 . . . . 0.0 110.765 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 36.8 t -58.65 -30.64 67.47 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 47.2 m-85 -69.74 -34.42 73.82 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.85 -1.57 5.77 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' B' ' 44' ' ' PHE . 58.7 t0 -59.84 -42.59 93.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 108.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 m -150.79 87.47 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.0 109.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -68.97 117.92 11.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 108.857 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' B' ' 84' ' ' ALA . 67.6 mmtt -80.09 -70.01 0.55 Allowed 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -98.25 87.56 3.94 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 122.062 0.934 . . . . 0.0 108.518 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.0 -19.21 64.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -68.57 -39.72 80.88 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.45 77.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.037 -1.039 . . . . 0.0 108.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -35.55 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -61.01 -40.05 92.09 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.433 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 4.1 mptp? -67.78 -39.7 84.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.791 -1.193 . . . . 0.0 109.672 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.02 -41.41 86.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.438 ' HG2' ' HZ2' ' B' ' 34' ' ' LYS . 37.4 mtt -63.26 -25.59 68.39 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.23 -0.918 . . . . 0.0 109.376 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -60.74 -40.27 91.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.289 -0.882 . . . . 0.0 110.652 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 50.8 mp0 -70.69 -39.62 73.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.764 -1.21 . . . . 0.0 111.003 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.49 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 0.4 OUTLIER -72.21 -23.64 61.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.077 -1.015 . . . . 0.0 110.05 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.54 -30.33 18.29 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.576 -1.327 . . . . 0.0 109.271 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -83.44 -25.75 30.95 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.441 -0.787 . . . . 0.0 109.426 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.451 ' OD1' ' OE2' ' B' ' 63' ' ' GLU . 7.2 m120 -139.65 37.91 2.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -29.83 15.08 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -78.15 -5.32 51.32 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.407 -1.054 . . . . 0.0 109.463 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.92 -160.33 9.36 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -143.6 159.85 41.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.662 -0.905 . . . . 0.0 110.134 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.88 149.48 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 27.8 t0 -121.06 -161.91 0.93 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.441 -0.787 . . . . 0.0 109.962 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -60.0 -48.33 82.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.358 -0.839 . . . . 0.0 111.853 -177.318 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.834 ' OE1' ' HB ' ' A' ' 83' ' ' VAL . 60.4 tt0 -70.02 -28.99 65.93 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.674 -1.266 . . . . 0.0 109.386 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.452 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 26.9 mt-10 -77.56 -39.72 44.88 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.293 -0.879 . . . . 0.0 109.443 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -35.09 74.14 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.506 -0.746 . . . . 0.0 109.113 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.24 -40.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 CA-C-O 121.427 0.632 . . . . 0.0 110.763 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -71.6 -40.01 70.51 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.488 -0.758 . . . . 0.0 110.387 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 tt -70.63 -39.94 73.39 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.597 -0.689 . . . . 0.0 110.699 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.37 -40.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.606 -0.684 . . . . 0.0 109.915 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.437 ' HB1' ' CG1' ' A' ' 75' ' ' VAL . . . -63.16 -37.97 89.31 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.451 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.14 -39.95 92.01 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.889 -1.132 . . . . 0.0 109.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.444 ' OG1' ' HE2' ' A' ' 8' ' ' MET . 53.7 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.006 -1.059 . . . . 0.0 109.373 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.806 ' HB ' ' OE1' ' A' ' 72' ' ' GLN . 1.1 p -53.47 -33.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.224 -0.923 . . . . 0.0 108.803 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.614 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -67.26 -21.48 65.72 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 32.7 t -140.1 57.95 1.6 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 p30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 120.67 -1.269 . . . . 0.0 108.818 -179.461 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 38.7 mp0 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.716 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 31.3 mt -69.19 -39.99 78.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.568 -0.708 . . . . 0.0 109.439 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 88.7 tt0 -65.15 -39.97 93.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.75 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 110.0 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.63 94.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.213 -0.929 . . . . 0.0 110.167 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.4 mmm -59.99 -38.88 83.87 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.156 -0.965 . . . . 0.0 109.976 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.462 -1.399 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -63.08 -37.94 89.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.425 -0.797 . . . . 0.0 108.961 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.429 -0.794 . . . . 0.0 109.332 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.15 -45.04 96.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.021 -1.049 . . . . 0.0 109.793 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.25 -45.7 92.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 112.005 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.65 -38.49 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.707 -1.246 . . . . 0.0 110.539 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.02 -39.62 82.47 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 20' ' ' GLY . 38.4 t-80 -60.01 -33.93 72.66 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.76 -0.588 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.96 -54.84 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.942 -1.099 . . . . 0.0 110.437 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -74.39 -40.37 62.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.722 -1.236 . . . . 0.0 110.397 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -80.05 -19.06 48.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.183 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.268 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 4.0 m-85 -50.0 164.21 0.12 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' NZ ' ' CE2' ' A' ' 74' ' ' PHE . 27.4 tptt -49.89 -89.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.704 -1.247 . . . . 0.0 108.78 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -179.8 -178.12 0.43 Allowed 'General case' 0 N--CA 1.512 2.641 0 O-C-N 120.877 -1.139 . . . . 0.0 111.738 178.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -53.25 148.86 7.89 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.426 -0.796 . . . . 0.0 111.181 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -60.09 -39.8 87.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.763 -0.586 . . . . 0.0 111.505 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.03 -42.56 94.63 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.983 -1.698 . . . . 0.0 108.566 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -48.61 -48.91 38.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.648 -0.658 . . . . 0.0 109.638 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -53.56 53.27 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.515 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -50.1 -29.94 10.0 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.355 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.08 -58.12 3.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 111.862 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -60.04 -51.54 69.18 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.505 -1.372 . . . . 0.0 110.713 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -57.81 -20.22 34.21 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.252 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.66 -34.9 16.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.442 -0.786 . . . . 0.0 110.825 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.886 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 9.7 pt-20 -81.57 -10.04 59.54 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.806 -1.184 . . . . 0.0 109.456 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.9 mt -108.13 45.32 1.02 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 8.3 t -45.35 -36.15 4.01 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.736 -1.228 . . . . 0.0 109.972 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 28.6 t -70.82 -14.41 62.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.99 -1.069 . . . . 0.0 109.88 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -58.94 -45.73 89.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.269 -1.52 . . . . 0.0 108.577 -179.452 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -65.47 -8.92 21.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.822 -1.174 . . . . 0.0 108.43 179.2 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 43' ' ' SER . 49.4 t0 -60.11 -40.06 88.38 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.228 -0.92 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 p -164.26 75.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 111.634 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.85 122.57 19.51 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.635 -1.291 . . . . 0.0 108.256 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 84' ' ' ALA . 29.1 mtpt -107.46 -46.03 3.94 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.576 -0.702 . . . . 0.0 111.222 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.07 100.06 10.87 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.87 -1.144 . . . . 0.0 110.521 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -18.47 55.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.73 -0.606 . . . . 0.0 109.915 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' NZ ' ' A' ' 56' ' ' LYS . 94.3 m-20 -70.02 -39.85 75.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.434 -0.792 . . . . 0.0 109.588 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.24 63.0 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.988 -1.07 . . . . 0.0 108.333 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -56.49 -39.0 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 48.3 t0 -60.1 -39.99 88.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.29 -39.91 86.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.928 -1.108 . . . . 0.0 109.001 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.97 -42.55 89.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.017 -1.052 . . . . 0.0 109.228 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mmt -63.8 -24.24 67.68 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.722 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.99 -39.92 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 0.0 110.816 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -72.75 -39.72 66.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.688 -1.257 . . . . 0.0 110.728 -178.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.31 -22.29 48.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.556 -1.34 . . . . 0.0 110.031 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.36 -36.17 22.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.918 . . . . 0.0 108.866 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -26.66 51.25 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.01 60.69 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.73 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -34.51 83.86 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.46 -0.98 35.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -1.147 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.99 -146.6 0.18 Allowed Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.4 159.54 39.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.27 -1.135 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -133.11 154.39 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.539 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 32.4 t0 -118.08 -164.15 0.99 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.325 -0.859 . . . . 0.0 109.659 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -59.99 -47.15 87.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.818 . . . . 0.0 111.129 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.577 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.2 tm0? -69.77 -32.91 71.67 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.179 -0.95 . . . . 0.0 109.649 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.464 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 79.0 mm-40 -69.97 -40.02 75.62 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 108.737 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.597 ' CE2' ' NZ ' ' A' ' 27' ' ' LYS . 22.0 t80 -67.12 -33.69 76.0 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.845 0.831 . . . . 0.0 109.305 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -74.18 -40.01 50.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.045 -1.034 . . . . 0.0 111.207 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.68 -45.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 O-C-N 121.638 -0.664 . . . . 0.0 110.916 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.14 -35.41 74.03 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 99.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.06 82.04 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.12 75.26 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.662 0.744 . . . . 0.0 109.2 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -42.1 83.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.766 -1.209 . . . . 0.0 108.361 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 5.3 m -62.31 -36.41 82.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.806 -1.183 . . . . 0.0 109.263 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 t -50.08 -31.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -60.98 -40.15 92.35 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' THR . 19.7 p -128.45 47.47 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.657 ' N ' HD21 ' A' ' 86' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.764 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 28.4 mt -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.423 -0.798 . . . . 0.0 109.429 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.886 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 88.6 tt0 -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.79 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.33 -0.856 . . . . 0.0 109.918 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.64 94.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 110.228 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -60.08 -38.81 84.01 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.086 -1.009 . . . . 0.0 109.876 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.511 -1.368 . . . . 0.0 108.633 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.15 -37.96 89.28 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.01 -39.97 87.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.77 . . . . 0.0 109.356 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.25 -45.03 96.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.04 -1.037 . . . . 0.0 109.805 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.1 -45.9 91.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.275 -0.891 . . . . 0.0 111.953 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.43 -38.61 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.74 -1.225 . . . . 0.0 110.563 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.09 -39.59 82.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' B' ' 20' ' ' GLY . 38.3 t-80 -59.97 -34.13 72.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.811 -0.556 . . . . 0.0 109.859 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.9 -54.94 40.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.966 -1.084 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.3 -40.06 62.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.599 -1.313 . . . . 0.0 110.433 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 m -80.28 -19.1 47.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 110.788 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.156 0 C-N-CA 119.686 -1.245 . . . . 0.0 110.243 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 4.0 m-85 -49.87 164.12 0.11 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.595 ' NZ ' ' CE2' ' B' ' 74' ' ' PHE . 27.8 tptt -49.82 -89.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.624 -1.298 . . . . 0.0 108.738 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.545 ' N ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -179.73 -178.23 0.44 Allowed 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.879 -1.138 . . . . 0.0 111.704 178.719 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -53.05 148.96 7.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.366 -0.834 . . . . 0.0 111.276 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.06 -39.81 87.32 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.71 -0.619 . . . . 0.0 111.511 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.1 -42.51 94.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.055 -1.653 . . . . 0.0 108.555 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.26 -39.96 74.66 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -48.76 -48.67 40.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.705 -0.622 . . . . 0.0 109.733 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -53.38 55.55 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.496 -1.281 . . . . 0.0 110.471 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -50.09 -29.95 10.01 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 118.764 -1.175 . . . . 0.0 110.465 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.27 -58.0 3.54 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.177 -0.952 . . . . 0.0 111.884 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -59.99 -51.54 69.24 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.512 -1.368 . . . . 0.0 110.77 -178.463 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -57.88 -20.08 34.19 Favored 'General case' 0 C--N 1.28 -2.438 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.379 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.73 -34.75 16.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 0.0 110.755 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.871 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 9.7 pt-20 -81.73 -10.04 59.48 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.849 -1.157 . . . . 0.0 109.342 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.8 mt -108.13 45.31 1.03 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 8.3 t -45.41 -36.27 4.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.751 -1.218 . . . . 0.0 109.913 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 23.8 t -70.55 -14.48 62.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.984 -1.072 . . . . 0.0 109.872 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER -58.87 -45.9 89.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.318 -1.488 . . . . 0.0 108.631 -179.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.5 OUTLIER -65.36 -9.01 21.16 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.797 -1.189 . . . . 0.0 108.435 179.204 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' B' ' 43' ' ' SER . 49.1 t0 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.46 76.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.934 -1.104 . . . . 0.0 111.563 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.83 122.66 19.68 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 120.675 -1.265 . . . . 0.0 108.144 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' B' ' 84' ' ' ALA . 29.5 mtpt -107.59 -45.99 3.92 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.656 -0.652 . . . . 0.0 111.126 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.04 100.01 10.83 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.855 -1.153 . . . . 0.0 110.549 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.39 55.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.638 -0.663 . . . . 0.0 109.96 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' B' ' 56' ' ' LYS . 94.5 m-20 -70.04 -40.03 75.37 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.448 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -50.42 62.66 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 108.331 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.6 t -56.4 -39.0 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' B' ' 55' ' ' ASP . 47.9 t0 -60.13 -40.07 88.46 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -67.14 -40.0 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.866 -1.146 . . . . 0.0 109.013 -179.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.99 -42.57 90.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.061 -1.024 . . . . 0.0 109.257 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.7 -24.35 67.74 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.36 -0.837 . . . . 0.0 109.739 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.94 -40.04 83.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 110.776 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 0.9 OUTLIER -72.68 -39.85 66.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.625 -1.297 . . . . 0.0 110.78 -178.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.32 -22.28 48.36 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.601 -1.312 . . . . 0.0 110.026 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -84.37 -36.09 22.71 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.219 -0.925 . . . . 0.0 108.833 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -26.41 51.12 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.31 60.87 0.7 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.416 -0.803 . . . . 0.0 109.707 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.93 -34.97 85.41 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.1 -1.08 34.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -1.063 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.04 -146.75 0.19 Allowed Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -155.19 159.47 40.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 0.0 110.609 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.02 154.37 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 32.9 t0 -118.04 -164.05 0.99 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.341 -0.849 . . . . 0.0 109.664 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.0 p90 -60.12 -46.9 88.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.422 -0.799 . . . . 0.0 111.137 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.2 tm0? -70.02 -32.72 71.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.173 -0.954 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.467 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 79.5 mm-40 -70.06 -39.97 75.37 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.595 ' CE2' ' NZ ' ' B' ' 27' ' ' LYS . 21.9 t80 -67.31 -33.79 76.0 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.854 0.835 . . . . 0.0 109.295 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.99 -40.05 51.76 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.12 -0.988 . . . . 0.0 111.162 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.03 -44.87 74.92 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.562 -0.711 . . . . 0.0 111.002 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.39 -35.16 73.31 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.459 -0.775 . . . . 0.0 110.14 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 98.6 t -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.95 . . . . 0.0 109.758 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.32 82.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.25 75.56 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.621 0.724 . . . . 0.0 109.14 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -42.19 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.753 -1.217 . . . . 0.0 108.44 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.406 ' O ' ' N ' ' B' ' 85' ' ' CYS . 5.1 m -62.27 -36.48 82.19 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.81 -1.181 . . . . 0.0 109.261 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 t -49.98 -32.17 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -60.67 -40.44 92.09 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.994 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' B' ' 82' ' ' THR . 20.4 p -128.2 47.37 2.43 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.654 ' N ' HD21 ' B' ' 86' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 120.995 0.426 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.96 -43.79 70.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.063 -1.023 . . . . 0.0 112.607 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -60.71 -37.01 80.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.416 -1.428 . . . . 0.0 109.672 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.93 -38.57 82.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.907 . . . . 0.0 108.968 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.65 76.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.827 . . . . 0.0 109.965 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -60.02 -40.89 90.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.008 -1.057 . . . . 0.0 110.607 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.772 -1.205 . . . . 0.0 109.994 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -63.57 -40.12 96.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.0 111.526 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.47 -40.11 90.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.921 -1.112 . . . . 0.0 110.35 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.84 -42.24 95.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.122 -0.986 . . . . 0.0 109.923 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -62.54 -43.03 99.83 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.274 -0.891 . . . . 0.0 111.833 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 t -69.93 -38.28 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.741 -1.224 . . . . 0.0 110.92 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.3 m-30 -55.39 -39.01 69.64 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.4 t-80 -59.63 -29.42 68.0 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.11 -56.47 21.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.823 -1.173 . . . . 0.0 110.095 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.4 -40.01 58.38 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.776 -1.203 . . . . 0.0 110.388 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 71.6 m -101.76 19.99 17.13 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.159 -0.963 . . . . 0.0 111.374 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.305 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.518 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m-85 -52.73 168.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' NZ ' ' CE2' ' A' ' 74' ' ' PHE . 35.4 tptt -52.41 -93.39 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.445 -1.409 . . . . 0.0 109.247 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.96 -177.65 0.39 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.104 -1.623 . . . . 0.0 111.022 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p -46.63 146.86 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.831 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -60.05 -43.14 95.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.407 -0.808 . . . . 0.0 110.729 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.09 -40.96 91.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.731 -1.23 . . . . 0.0 111.561 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -81.72 -25.95 35.01 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.949 -1.094 . . . . 0.0 109.872 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -62.55 -44.46 96.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.537 -1.352 . . . . 0.0 109.373 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.517 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 9.7 tttm -81.45 -31.91 32.84 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.478 -1.388 . . . . 0.0 111.101 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -65.35 -40.05 93.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.661 -1.275 . . . . 0.0 108.995 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.49 -55.28 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.489 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.0 -22.92 63.08 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.653 -1.279 . . . . 0.0 109.271 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -60.0 -31.59 70.06 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -71.42 -43.06 67.45 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.331 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.1 -22.33 55.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.917 -1.114 . . . . 0.0 108.776 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -96.44 18.79 13.25 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -60.03 -39.55 86.29 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.594 0.711 . . . . 0.0 109.872 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -80.1 -23.77 41.02 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.305 -0.872 . . . . 0.0 109.191 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.577 ' C ' ' H ' ' A' ' 46' ' ' ASP . 8.1 m-85 -69.63 -58.67 3.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.328 -0.858 . . . . 0.0 109.771 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -67.38 11.14 0.13 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.751 -1.218 . . . . 0.0 108.902 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 44' ' ' PHE . 39.8 t0 -59.12 -39.32 81.95 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.486 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 10.5 m -125.8 55.59 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' VAL . 26.8 mt-30 -40.04 110.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 122.001 0.905 . . . . 0.0 110.619 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -79.96 -64.55 1.16 Allowed 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -98.5 99.23 10.37 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.129 -0.982 . . . . 0.0 108.598 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.6 -19.27 58.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.49 -0.756 . . . . 0.0 109.989 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -39.97 75.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.407 -0.808 . . . . 0.0 109.33 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.78 46.82 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 109.084 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.3 -38.28 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.93 87.51 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.239 0.542 . . . . 0.0 109.573 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -62.71 -39.99 95.76 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 109.25 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.75 -43.04 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.56 -0.712 . . . . 0.0 109.996 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.99 -29.0 69.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.003 -1.06 . . . . 0.0 109.491 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -65.26 -40.0 93.4 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 110.49 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.57 -40.93 66.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.473 -1.392 . . . . 0.0 110.177 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 14.4 mt -70.22 -26.48 63.88 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.49 -0.756 . . . . 0.0 110.977 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.65 -34.72 13.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.795 -1.191 . . . . 0.0 110.607 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -65.87 -37.73 86.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.79 56.26 1.14 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -57.71 -16.44 23.38 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 8.5 t0 -82.42 -7.85 59.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -1.047 . . . . 0.0 110.222 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.66 -145.65 0.07 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -156.23 159.94 39.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -1.118 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.2 m -135.49 151.57 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.2 t0 -129.08 -154.15 0.62 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.276 -0.89 . . . . 0.0 109.281 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 6.7 p90 -59.78 -47.46 85.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.505 -0.747 . . . . 0.0 111.356 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.1 tm0? -70.7 -32.01 69.07 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.581 -1.324 . . . . 0.0 110.242 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.8 mt-10 -83.54 -32.79 25.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.992 -1.067 . . . . 0.0 108.685 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' NZ ' ' A' ' 27' ' ' LYS . 16.2 t80 -69.9 -39.24 76.34 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.04 0.924 . . . . 0.0 109.036 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.78 -44.53 28.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 O-C-N 121.62 -0.675 . . . . 0.0 111.527 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.47 -40.94 72.85 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 O-C-N 121.125 -0.984 . . . . 0.0 110.748 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.26 -39.99 71.24 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.334 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 61.3 t -71.62 -39.38 69.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.468 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.99 88.55 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.188 0.994 . . . . 0.0 108.669 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.51 -35.95 79.16 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.855 -1.153 . . . . 0.0 108.066 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ASN . 8.9 m -58.47 -31.0 67.41 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.344 -0.847 . . . . 0.0 109.104 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.45 ' CG2' ' HG3' ' B' ' 72' ' ' GLN . 55.6 t -59.98 -41.38 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.06 -1.025 . . . . 0.0 108.815 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.534 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.0 m -120.88 36.56 4.55 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 82' ' ' THR . 63.6 t30 . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.032 0.444 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.85 -43.95 70.86 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.11 -0.994 . . . . 0.0 112.565 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.8 -37.02 80.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.377 -1.452 . . . . 0.0 109.69 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -59.98 -38.5 82.72 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.263 -0.898 . . . . 0.0 108.945 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.73 -37.85 77.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -60.1 -41.1 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.947 -1.095 . . . . 0.0 110.411 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.86 -42.1 98.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.797 -1.19 . . . . 0.0 110.028 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.334 -0.854 . . . . 0.0 111.474 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.58 -39.91 89.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.827 -1.171 . . . . 0.0 110.46 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.05 -42.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.09 -1.006 . . . . 0.0 109.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.47 -42.83 99.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 111.923 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.93 -38.37 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.796 -1.19 . . . . 0.0 111.043 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.416 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.4 m-30 -55.32 -39.04 69.47 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.6 t-80 -59.8 -29.26 68.1 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.77 17.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.8 -1.187 . . . . 0.0 110.194 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.19 -39.95 59.76 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.904 -1.123 . . . . 0.0 110.444 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 73.3 m -101.8 20.03 17.11 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.112 -0.993 . . . . 0.0 111.324 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.167 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.552 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 3.3 m-85 -52.71 168.66 0.11 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.57 ' NZ ' ' CE2' ' B' ' 74' ' ' PHE . 35.7 tptt -52.25 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.534 -1.354 . . . . 0.0 109.132 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.95 -177.41 0.38 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.174 -1.579 . . . . 0.0 111.019 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -46.63 146.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.147 -0.971 . . . . 0.0 109.807 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -59.92 -43.37 94.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.445 -0.784 . . . . 0.0 110.705 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -41.09 91.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.785 -1.197 . . . . 0.0 111.483 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -81.9 -25.88 34.61 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.958 -1.089 . . . . 0.0 109.831 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -62.45 -44.4 96.5 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.543 -1.348 . . . . 0.0 109.429 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.524 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 9.3 tttm -81.54 -31.85 32.52 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.39 -1.444 . . . . 0.0 111.055 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -65.35 -39.99 93.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.833 -1.167 . . . . 0.0 109.076 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.56 -55.38 13.66 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.451 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -69.88 -23.21 63.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.778 -1.201 . . . . 0.0 109.343 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 26.2 tp60 -59.99 -31.19 69.69 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.9 m -71.76 -42.66 66.93 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.775 -0.578 . . . . 0.0 110.481 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -76.45 -22.01 55.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.805 -1.184 . . . . 0.0 108.694 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -97.04 19.53 12.7 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.3 m -60.03 -39.9 87.46 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.704 0.764 . . . . 0.0 109.756 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -79.71 -24.13 41.88 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.281 -0.887 . . . . 0.0 109.164 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.578 ' C ' ' H ' ' B' ' 46' ' ' ASP . 8.5 m-85 -69.55 -58.69 3.64 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.746 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -67.01 10.56 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.811 -1.181 . . . . 0.0 108.865 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' B' ' 44' ' ' PHE . 39.8 t0 -58.91 -39.3 81.11 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.482 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 11.4 m -125.8 55.49 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' B' ' 47' ' ' VAL . 27.2 mt-30 -40.06 110.84 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.048 0.928 . . . . 0.0 110.515 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -79.88 -64.51 1.17 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.73 99.35 10.45 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.086 -1.009 . . . . 0.0 108.583 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.13 57.8 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.508 -0.745 . . . . 0.0 109.949 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.97 -39.95 75.68 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.37 -52.4 47.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 109.046 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.17 -38.45 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.0 87.3 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.251 0.548 . . . . 0.0 109.635 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.45 -40.09 95.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.35 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.77 -43.05 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.025 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmt -61.14 -28.91 69.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.013 -1.054 . . . . 0.0 109.643 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -65.17 -40.16 93.93 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 110.334 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.27 -41.11 67.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.599 -1.313 . . . . 0.0 110.394 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 15.2 mt -70.0 -26.82 64.25 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.417 -0.802 . . . . 0.0 111.145 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.64 -34.3 13.34 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.913 -1.117 . . . . 0.0 110.641 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -66.15 -37.59 86.05 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.92 56.09 1.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -57.74 -16.26 22.73 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 8.5 t0 -82.49 -8.04 59.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.503 -0.998 . . . . 0.0 110.239 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -145.6 0.07 OUTLIER Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.12 160.02 39.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -1.186 . . . . 0.0 110.312 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.3 m -135.64 151.52 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.8 t0 -129.13 -154.38 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.275 -0.891 . . . . 0.0 109.344 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.637 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 6.5 p90 -59.45 -47.43 85.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 0.0 111.441 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.637 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.1 tm0? -70.62 -32.23 69.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.639 -1.288 . . . . 0.0 110.321 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.9 mt-10 -83.37 -32.99 25.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.158 -0.964 . . . . 0.0 108.718 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' NZ ' ' B' ' 27' ' ' LYS . 15.8 t80 -69.99 -39.2 76.05 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.983 0.896 . . . . 0.0 108.984 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.1 t -78.03 -44.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 O-C-N 121.633 -0.667 . . . . 0.0 111.543 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.33 -41.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 O-C-N 121.047 -1.033 . . . . 0.0 110.743 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.37 -39.81 70.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.38 -0.825 . . . . 0.0 110.381 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 59.7 t -71.56 -39.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.344 -0.848 . . . . 0.0 109.2 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.59 85.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.05 87.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 122.192 0.996 . . . . 0.0 108.693 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.64 -36.19 80.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.866 -1.146 . . . . 0.0 108.134 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 86' ' ' ASN . 9.0 m -58.1 -31.14 66.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.238 -0.914 . . . . 0.0 109.099 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.451 ' CG2' ' HG3' ' A' ' 72' ' ' GLN . 49.7 t -59.98 -41.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.115 -0.99 . . . . 0.0 108.79 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -71.66 -27.08 62.82 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.366 -0.833 . . . . 0.0 109.516 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.92 36.66 4.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 82' ' ' THR . 64.0 t30 . . . . . 0 C--N 1.301 -1.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.514 ' HB3' ' CG1' ' B' ' 14' ' ' VAL . 98.5 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.528 0.204 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' ' OE2' ' B' ' 40' ' ' GLU . 87.0 mt -71.95 -39.29 69.49 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.731 -1.231 . . . . 0.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' B' ' 41' ' ' LEU . 55.3 tp10 -60.02 -40.46 89.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.095 -1.003 . . . . 0.0 109.318 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.5 m -61.09 -40.0 92.05 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.06 89.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.359 -0.838 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.3 -41.33 93.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.834 -1.166 . . . . 0.0 110.563 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.46 -39.97 94.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.067 -1.021 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.7 m -65.83 -39.99 91.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 110.792 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.17 -40.05 88.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 110.575 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 12' ' ' ILE . 96.7 mt -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.051 -1.031 . . . . 0.0 110.079 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.84 -40.4 92.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.574 ' CG1' ' HB3' ' B' ' 3' ' ' GLU . 28.3 t -72.53 -39.43 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.473 -1.392 . . . . 0.0 111.117 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.5 m-30 -55.16 -37.0 66.43 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 20' ' ' GLY . 76.7 t60 -59.91 -30.53 69.1 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' CB ' ' OE1' ' B' ' 3' ' ' GLU . . . -58.66 -55.52 34.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.021 -1.05 . . . . 0.0 110.331 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -74.68 -39.19 62.15 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.756 -1.215 . . . . 0.0 110.872 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -97.03 13.17 29.97 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.861 -1.149 . . . . 0.0 110.665 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.304 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.604 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -49.68 170.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.323 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 35.1 tptt -58.53 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.427 -1.309 . . . . 0.0 108.814 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.66 -177.44 0.12 Allowed 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.905 -1.122 . . . . 0.0 111.214 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -50.99 149.68 3.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.988 -1.07 . . . . 0.0 109.852 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 32.4 mtmm -62.62 -48.78 77.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.092 -1.005 . . . . 0.0 112.315 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -52.93 -47.13 68.26 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 119.706 -1.871 . . . . 0.0 111.24 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.26 -39.84 86.17 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 121.066 -1.021 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -53.63 -44.5 69.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.415 -0.803 . . . . 0.0 110.401 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HZ3' ' NE2' ' A' ' 38' ' ' GLN . 2.4 ttmm -60.01 -45.45 92.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 119.832 -1.792 . . . . 0.0 109.438 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.12 -22.13 65.57 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.959 -1.088 . . . . 0.0 109.076 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -54.93 7.0 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.684 0.755 . . . . 0.0 111.078 -178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.13 -48.7 64.69 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.036 -1.04 . . . . 0.0 112.936 -176.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' NE2' ' HZ3' ' A' ' 34' ' ' LYS . 52.7 mt-30 -62.74 -23.17 67.05 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-O 122.513 1.149 . . . . 0.0 108.238 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.65 -41.92 52.83 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.447 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.81 ' OE2' ' N ' ' B' ' 4' ' ' LEU . 49.1 tt0 -94.01 -1.71 54.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.636 -0.665 . . . . 0.0 109.691 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD21 ' OE1' ' B' ' 5' ' ' GLU . 68.3 mt -119.55 36.02 4.64 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.7 m -59.96 -40.13 87.98 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 111.274 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 38.5 t -62.31 -35.07 77.9 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.037 -1.039 . . . . 0.0 108.949 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.3 m-85 -60.21 -40.01 88.62 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.377 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.73 -8.8 11.43 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 43' ' ' SER . 89.6 m-20 -50.41 -30.53 12.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 109.182 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.67 98.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.179 -0.951 . . . . 0.0 110.284 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -70.4 112.95 7.07 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.993 -1.067 . . . . 0.0 109.865 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.8 -70.02 0.56 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.509 -0.744 . . . . 0.0 109.698 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.01 101.58 12.71 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 122.46 1.124 . . . . 0.0 110.425 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.77 -17.36 61.59 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.393 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.85 75.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.563 -0.711 . . . . 0.0 109.713 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -51.44 55.92 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.148 -0.97 . . . . 0.0 109.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.87 -37.06 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.94 -39.96 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.698 -0.626 . . . . 0.0 110.538 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.19 -39.76 86.42 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.956 -1.09 . . . . 0.0 109.517 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.9 mt -59.93 -41.62 86.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 109.317 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.1 mmt -60.96 -31.96 71.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 109.107 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.2 -40.04 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.098 -1.001 . . . . 0.0 111.249 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.09 -39.56 86.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.495 -1.378 . . . . 0.0 109.631 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -59.9 -39.34 85.05 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.88 -0.512 . . . . 0.0 111.007 -178.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -86.83 -34.65 19.44 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.062 -1.024 . . . . 0.0 111.585 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -30.16 64.6 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.185 -0.947 . . . . 0.0 110.035 -178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.511 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 45.1 t-20 -148.93 45.48 1.0 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.323 -0.861 . . . . 0.0 108.978 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.46 -30.7 12.91 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -79.67 -9.09 59.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.489 -1.006 . . . . 0.0 110.399 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . -64.29 -149.85 0.05 OUTLIER Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -158.31 159.98 36.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -1.072 . . . . 0.0 110.718 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.6 151.16 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.53 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 6.5 m-20 -122.63 -158.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.426 -0.796 . . . . 0.0 109.555 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 40.9 p90 -60.13 -52.08 66.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.461 -0.774 . . . . 0.0 112.155 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 3.3 tm0? -70.07 -30.02 67.17 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.915 -1.115 . . . . 0.0 109.318 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.53 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 26.4 mt-10 -76.01 -36.81 59.0 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.739 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.446 -0.784 . . . . 0.0 109.055 179.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.31 -41.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.198 -0.939 . . . . 0.0 110.722 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.43 -41.35 78.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 tt -71.31 -39.42 71.45 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.679 -0.638 . . . . 0.0 110.188 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 94.2 t -68.95 -40.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.002 -1.061 . . . . 0.0 108.495 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.86 90.47 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.39 -36.31 83.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.249 . . . . 0.0 108.517 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' ASN . 3.3 m -58.04 -35.09 70.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 108.965 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -41.18 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.394 -0.817 . . . . 0.0 108.903 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.97 -20.97 63.28 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.615 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 54.3 m -134.01 45.72 2.6 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.476 HD22 ' HZ3' ' A' ' 49' ' ' LYS . 12.3 p30 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.149 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.574 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.727 0.299 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.81 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 89.8 mt -72.1 -39.09 69.18 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.694 -1.254 . . . . 0.0 109.903 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.463 ' OE1' HD21 ' A' ' 41' ' ' LEU . 55.3 tp10 -59.95 -40.9 90.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.87 -40.05 91.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.108 -0.995 . . . . 0.0 109.588 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.12 88.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.804 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.53 -41.29 94.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.878 -1.139 . . . . 0.0 110.468 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 110.452 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -65.61 -40.18 92.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.312 -0.868 . . . . 0.0 110.51 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.01 -40.14 88.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.005 -1.059 . . . . 0.0 110.659 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -42.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 120.894 -1.129 . . . . 0.0 110.122 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -60.83 -41.02 94.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 111.319 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 3' ' ' GLU . 33.8 t -72.33 -39.36 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.639 -1.288 . . . . 0.0 111.271 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.09 -37.18 66.5 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 74.8 t60 -59.59 -30.8 68.92 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' OE1' ' A' ' 3' ' ' GLU . . . -58.5 -55.5 34.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.123 -0.986 . . . . 0.0 110.444 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.04 -38.9 61.29 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.735 -1.228 . . . . 0.0 110.812 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 69.6 m -96.82 12.56 31.68 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.935 -1.103 . . . . 0.0 110.668 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.272 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.889 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -49.67 170.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.426 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 34.7 tptt -58.4 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.408 -1.317 . . . . 0.0 108.795 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 175.03 -177.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.883 -1.136 . . . . 0.0 111.228 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -51.19 149.53 3.81 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.973 -1.08 . . . . 0.0 109.948 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 31.7 mtmm -62.23 -49.11 77.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.091 -1.006 . . . . 0.0 112.306 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -52.68 -46.91 67.44 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 119.736 -1.853 . . . . 0.0 111.268 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.98 -39.04 83.38 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.06 -1.025 . . . . 0.0 109.341 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.4 tm? -54.23 -44.27 71.56 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.443 -0.786 . . . . 0.0 110.339 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.41 ' HZ2' ' NE2' ' B' ' 38' ' ' GLN . 2.3 ttmm -60.03 -45.66 92.07 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.0 -1.688 . . . . 0.0 109.414 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.408 ' O ' ' OG1' ' B' ' 39' ' ' THR . 93.7 m-20 -62.15 -22.13 65.62 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.951 -1.093 . . . . 0.0 108.957 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -54.71 7.63 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.654 0.74 . . . . 0.0 111.218 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.43 -48.74 63.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.052 -1.03 . . . . 0.0 112.785 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.41 ' NE2' ' HZ2' ' B' ' 34' ' ' LYS . 50.6 mt-30 -62.7 -23.11 66.98 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.526 1.155 . . . . 0.0 108.23 -177.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 1.2 m -75.76 -41.49 52.97 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.509 -178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.793 ' OE2' ' N ' ' A' ' 4' ' ' LEU . 46.2 tt0 -93.88 -2.52 53.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.547 -0.721 . . . . 0.0 109.606 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' ' 5' ' ' GLU . 69.6 mt -119.22 36.43 4.47 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -60.08 -39.98 87.99 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.446 -0.784 . . . . 0.0 111.223 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 47.0 t -62.99 -34.45 77.58 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 108.951 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.1 m-85 -60.69 -39.98 90.49 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.17 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -9.31 11.05 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' B' ' 43' ' ' SER . 89.5 m-20 -50.09 -30.37 10.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.001 -1.062 . . . . 0.0 109.33 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.96 98.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.09 -1.006 . . . . 0.0 110.356 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -70.38 113.01 7.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.064 -1.023 . . . . 0.0 109.799 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.646 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.2 mmmp? -81.01 -69.97 0.57 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.52 -0.738 . . . . 0.0 109.623 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -100.03 101.66 12.79 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.55 1.167 . . . . 0.0 110.4 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -17.56 61.55 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.507 -0.745 . . . . 0.0 109.312 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.93 -40.04 75.75 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.568 -0.708 . . . . 0.0 109.676 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -51.3 57.62 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.188 -0.945 . . . . 0.0 109.202 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -36.97 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.694 -0.629 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.44 -39.42 85.39 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.975 -1.078 . . . . 0.0 109.416 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.0 mt -59.95 -41.78 87.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.601 -0.687 . . . . 0.0 109.481 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.2 mmt -61.01 -32.05 71.65 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.059 -1.026 . . . . 0.0 109.135 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.199 -0.938 . . . . 0.0 111.282 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.12 -39.64 86.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.57 -1.331 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' B' ' 30' ' ' LYS . 0.8 OUTLIER -59.96 -39.27 85.04 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.82 -0.55 . . . . 0.0 111.071 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.98 -34.54 19.24 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.053 . . . . 0.0 111.531 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -30.3 64.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.19 -0.944 . . . . 0.0 110.035 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.523 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 45.5 t-20 -148.76 45.5 1.02 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 108.915 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -30.4 13.19 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -79.84 -9.01 59.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.496 -1.002 . . . . 0.0 110.414 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . -64.41 -149.53 0.05 OUTLIER Glycine 0 N--CA 1.481 1.696 0 N-CA-C 109.139 -1.585 . . . . 0.0 109.139 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -158.41 160.02 36.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.401 -1.058 . . . . 0.0 110.711 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -130.44 151.36 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.516 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 7.9 m-20 -122.82 -158.41 0.79 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.522 -0.736 . . . . 0.0 109.643 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 40.4 p90 -60.46 -51.99 67.11 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.415 -0.803 . . . . 0.0 112.11 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 3.1 tm0? -69.97 -30.03 67.29 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.026 -1.046 . . . . 0.0 109.36 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 24.7 mt-10 -76.62 -36.55 57.38 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.399 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 0.7 OUTLIER -69.97 -34.56 73.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.6 t -74.2 -41.39 51.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.166 -0.959 . . . . 0.0 110.62 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.8 t -70.39 -41.64 78.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.161 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 tt -71.04 -39.45 72.27 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.734 -0.604 . . . . 0.0 110.305 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 92.9 t -69.03 -39.9 80.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.584 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.82 90.76 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.63 -36.88 85.68 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.705 -1.247 . . . . 0.0 108.49 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.45 ' O ' ' N ' ' B' ' 86' ' ' ASN . 3.1 m -57.5 -35.05 69.72 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 109.114 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.1 -41.25 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.339 -0.851 . . . . 0.0 108.712 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.96 -21.06 63.29 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.606 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 52.3 m -133.8 45.68 2.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.556 HD22 ' HZ1' ' B' ' 49' ' ' LYS . 12.1 p30 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.11 -0.994 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 120.618 0.246 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' B' ' 14' ' ' VAL . 64.6 mt -77.03 -40.82 45.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.534 -1.354 . . . . 0.0 110.526 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.473 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 88.7 tt0 -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.948 -1.095 . . . . 0.0 110.039 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -40.02 88.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.234 -0.916 . . . . 0.0 110.406 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' B' ' 11' ' ' LEU . . . -68.38 -40.31 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.347 -0.845 . . . . 0.0 111.263 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 tpt -61.01 -41.35 96.38 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.939 -1.1 . . . . 0.0 110.522 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.24 -40.02 96.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.091 -1.006 . . . . 0.0 109.955 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.5 m -63.43 -40.08 96.19 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.369 -0.832 . . . . 0.0 110.281 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 94.3 mt -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.06 -1.025 . . . . 0.0 110.742 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.19 -43.94 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.04 -40.31 88.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.313 -0.867 . . . . 0.0 110.898 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' B' ' 4' ' ' LEU . 61.0 t -66.5 -39.4 83.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 120.707 -1.246 . . . . 0.0 110.418 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 5.4 m-30 -50.84 -38.37 48.58 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.732 -1.23 . . . . 0.0 107.699 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 74.2 t60 -60.01 -35.68 75.59 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.73 -58.58 7.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.091 . . . . 0.0 110.549 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.56 -40.05 64.23 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.545 -1.347 . . . . 0.0 110.756 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 51.0 m -84.56 -6.56 59.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.017 -1.052 . . . . 0.0 111.205 -178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' TYR . 4.4 mptp? . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.0 m-85 -48.74 170.3 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.505 ' O ' ' O ' ' A' ' 26' ' ' TYR . 47.5 tptt -50.55 -94.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.229 -1.389 . . . . 0.0 109.493 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' H ' HG22 ' A' ' 69' ' ' VAL . 1.4 pp 179.39 -178.8 0.38 Allowed 'General case' 0 N--CA 1.514 2.756 0 O-C-N 120.64 -1.287 . . . . 0.0 111.956 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.507 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 7.9 t -43.91 155.1 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.32 -0.862 . . . . 0.0 111.847 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' N ' ' HG ' ' A' ' 29' ' ' SER . 2.3 mmmm -66.72 -54.1 26.55 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.26 -43.96 95.71 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 119.59 -1.944 . . . . 0.0 111.975 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -69.8 -31.57 69.56 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.738 -1.227 . . . . 0.0 108.757 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -59.97 -44.1 94.67 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.948 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HZ2' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -65.28 -55.54 17.78 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.75 -1.219 . . . . 0.0 111.734 -178.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.83 -27.63 52.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.34 -1.475 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -52.82 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 111.831 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 37' ' ' LEU . 6.0 mp -69.21 -45.36 70.06 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.615 -1.303 . . . . 0.0 112.693 -176.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.83 -26.69 67.51 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.542 -1.348 . . . . 0.0 107.618 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.01 -39.97 54.61 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.075 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 81.0 tt0 -79.3 -5.83 55.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.7 49.77 1.01 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -54.14 -37.84 64.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 0.0 110.091 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 36.0 t -56.88 -17.93 11.25 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CD2' ' SG ' ' A' ' 85' ' ' CYS . 30.7 t80 -60.05 -40.05 88.11 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.95 -14.13 62.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.3 t70 -59.97 -45.89 91.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.408 -0.807 . . . . 0.0 109.891 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 m -158.38 97.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.963 -1.086 . . . . 0.0 110.93 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CD ' ' N ' ' A' ' 48' ' ' GLN . 8.4 mp0 -70.07 119.86 14.91 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.686 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.3 mmmm -91.44 -79.92 0.36 Allowed 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.9 -0.5 . . . . 0.0 110.524 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.56 98.95 9.2 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.907 -1.12 . . . . 0.0 109.887 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.8 -18.87 61.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.461 -0.774 . . . . 0.0 110.021 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -39.97 75.35 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.607 -0.683 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -50.77 65.43 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -59.56 -38.23 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.057 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -58.87 -39.99 83.02 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.139 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.4 -39.98 89.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.884 -1.135 . . . . 0.0 109.98 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 1.3 mp -60.03 -43.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 120.934 -1.104 . . . . 0.0 108.574 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mpt? -58.89 -24.7 62.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.624 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 10.0 mtpm? -66.69 -39.97 88.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.706 -1.246 . . . . 0.0 110.347 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 64' ' ' ASN . 96.4 mt-10 -67.3 -39.9 85.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.523 -1.36 . . . . 0.0 111.992 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' CD2' ' HZ2' ' A' ' 34' ' ' LYS . 3.0 mp -75.0 -33.12 61.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.469 -1.395 . . . . 0.0 109.934 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.0 -38.01 75.87 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.601 -1.312 . . . . 0.0 108.405 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 11.5 mm-40 -61.23 -39.99 92.35 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.655 0.741 . . . . 0.0 109.434 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 51.6 p30 -148.25 61.56 1.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -50.0 -29.99 15.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.046 -1.621 . . . . 0.0 109.046 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -79.94 2.11 24.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.738 -0.86 . . . . 0.0 109.688 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -68.94 -149.41 0.27 Allowed Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -160.21 160.41 32.73 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.165 -1.197 . . . . 0.0 110.926 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 28' ' ' LEU . 7.0 m -129.26 155.25 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 10.9 m-20 -128.12 -160.0 0.99 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.221 -0.925 . . . . 0.0 109.605 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.856 ' CZ ' ' ND2' ' B' ' 86' ' ' ASN . 43.0 p90 -60.04 -51.48 69.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.603 -0.686 . . . . 0.0 111.514 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.72 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.34 -27.76 64.61 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.733 -1.23 . . . . 0.0 109.574 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 39.7 tt0 -81.92 -34.69 29.78 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.352 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 1.5 t80 -69.93 -38.87 76.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.975 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.25 -43.41 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.229 -0.92 . . . . 0.0 110.848 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.2 t -68.62 -40.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.421 -0.799 . . . . 0.0 109.988 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.58 -40.04 76.98 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.38 -0.825 . . . . 0.0 109.167 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 75.9 t -61.71 -42.25 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.558 -0.714 . . . . 0.0 109.73 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.23 -34.77 78.87 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.36 89.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.492 0.663 . . . . 0.0 109.475 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.22 -39.96 86.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.524 -1.36 . . . . 0.0 107.871 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.593 ' O ' ' N ' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -54.87 -31.17 59.46 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.0 -41.52 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.686 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.55 -20.97 61.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.152 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.621 ' SG ' ' CD2' ' A' ' 44' ' ' PHE . 1.5 m -130.04 30.96 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.878 ' ND2' ' CZ ' ' B' ' 71' ' ' PHE . 22.5 t-20 . . . . . 0 N--CA 1.499 1.985 0 O-C-N 121.098 -1.001 . . . . 0.0 109.88 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.638 0.256 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 63.7 mt -76.66 -41.0 47.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.603 -1.311 . . . . 0.0 110.647 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.461 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 88.6 tt0 -62.02 -41.7 98.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.972 -1.08 . . . . 0.0 110.075 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -60.16 -39.97 88.25 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.266 -0.897 . . . . 0.0 110.41 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.478 ' CB ' HD22 ' A' ' 11' ' ' LEU . . . -68.54 -39.99 80.89 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 0.0 111.3 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.21 -41.62 97.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.954 -1.092 . . . . 0.0 110.427 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.96 -39.92 96.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.211 -0.93 . . . . 0.0 110.082 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -63.56 -39.98 95.81 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -0.867 . . . . 0.0 110.355 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 93.8 mt -59.93 -40.1 87.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.94 -1.1 . . . . 0.0 110.749 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.425 HD11 HG22 ' B' ' 12' ' ' ILE . 85.1 mt -62.31 -43.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.732 -1.23 . . . . 0.0 109.819 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.01 -40.47 89.36 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.346 -0.846 . . . . 0.0 110.891 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 4' ' ' LEU . 56.7 t -66.61 -39.42 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.697 -1.252 . . . . 0.0 110.33 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 5.4 m-30 -50.71 -38.24 46.13 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 107.735 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 20' ' ' GLY . 73.3 t60 -60.09 -35.53 75.41 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -58.79 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.954 -1.091 . . . . 0.0 110.4 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.66 -39.87 64.13 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.521 -1.362 . . . . 0.0 110.711 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 49.5 m -84.38 -6.84 59.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.071 -1.018 . . . . 0.0 111.229 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 26' ' ' TYR . 4.4 mptp? . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.502 ' O ' ' O ' ' B' ' 27' ' ' LYS . 59.7 m-85 -48.72 170.38 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' B' ' 26' ' ' TYR . 45.4 tptt -50.86 -94.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.431 -1.418 . . . . 0.0 109.329 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.415 ' H ' HG23 ' B' ' 69' ' ' VAL . 1.3 pp 179.48 -178.76 0.38 Allowed 'General case' 0 N--CA 1.513 2.711 0 O-C-N 120.686 -1.259 . . . . 0.0 112.06 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -44.0 155.2 0.09 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.29 -0.881 . . . . 0.0 111.912 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -66.85 -54.15 25.27 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -60.05 -44.15 94.89 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 119.536 -1.978 . . . . 0.0 111.942 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -69.65 -31.53 69.66 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.75 -1.219 . . . . 0.0 108.782 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.9 tm? -59.94 -44.12 94.57 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.076 -1.015 . . . . 0.0 108.992 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.575 ' HZ3' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -65.46 -55.32 18.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.784 -1.197 . . . . 0.0 111.836 -178.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.66 -27.93 52.63 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 120.43 -1.419 . . . . 0.0 110.204 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -74.4 -52.94 10.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.51 -0.743 . . . . 0.0 111.917 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.402 ' N ' HD13 ' B' ' 37' ' ' LEU . 6.1 mp -69.16 -45.28 70.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.624 -1.298 . . . . 0.0 112.728 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.0 -26.47 67.62 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.505 -1.372 . . . . 0.0 107.61 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.2 -40.02 53.29 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.473 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 80.9 tt0 -79.22 -5.92 55.43 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -114.34 49.46 1.01 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.0 m -53.96 -38.26 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.455 -0.778 . . . . 0.0 110.025 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 36.6 t -56.57 -17.92 10.14 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.617 ' CD2' ' SG ' ' B' ' 85' ' ' CYS . 30.0 t80 -59.95 -40.07 87.73 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.32 -13.84 62.56 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' B' ' 43' ' ' SER . 9.3 t70 -60.02 -46.28 90.0 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.424 -0.797 . . . . 0.0 109.9 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 1.8 m -157.49 97.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.022 -1.049 . . . . 0.0 110.895 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -70.09 119.78 14.8 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.233 -0.917 . . . . 0.0 108.937 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.684 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -91.62 -80.01 0.36 Allowed 'General case' 0 C--N 1.288 -2.067 0 O-C-N 121.774 -0.579 . . . . 0.0 110.495 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -101.33 98.93 9.24 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.895 -1.128 . . . . 0.0 109.954 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -18.91 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.012 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 -39.94 75.47 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.613 -0.679 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.01 64.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -0.833 . . . . 0.0 109.282 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -59.41 -37.93 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.06 -40.04 83.93 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.098 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -66.52 -40.01 88.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 1.4 mp -59.95 -43.27 91.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.009 -1.057 . . . . 0.0 108.482 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 1.2 mpt? -58.72 -24.57 61.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.428 -0.795 . . . . 0.0 109.648 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' B' ' 63' ' ' GLU . 9.9 mtpm? -67.05 -39.6 86.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.702 -1.248 . . . . 0.0 110.374 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 64' ' ' ASN . 96.2 mt-10 -67.64 -39.94 84.59 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.564 -1.335 . . . . 0.0 111.81 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.575 ' CD2' ' HZ3' ' B' ' 34' ' ' LYS . 3.0 mp -74.79 -33.26 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.416 . . . . 0.0 109.828 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -37.89 75.78 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.474 -1.391 . . . . 0.0 108.421 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 59' ' ' LYS . 11.7 mm-40 -61.44 -39.99 92.83 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.588 0.708 . . . . 0.0 109.357 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 60' ' ' GLU . 50.9 p30 -148.12 61.62 1.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.88 -29.89 14.44 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -80.03 1.9 25.84 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.585 -0.95 . . . . 0.0 109.837 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -149.48 0.26 Allowed Glycine 0 N--CA 1.484 1.876 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -160.07 160.41 33.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.229 -1.159 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.415 HG23 ' H ' ' B' ' 28' ' ' LEU . 7.3 m -129.11 155.39 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.7 m-20 -128.51 -159.99 0.99 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.198 -0.939 . . . . 0.0 109.501 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.878 ' CZ ' ' ND2' ' A' ' 86' ' ' ASN . 42.8 p90 -59.95 -51.42 69.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 0.0 111.487 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.713 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.64 -27.51 64.11 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.738 -1.226 . . . . 0.0 109.548 -178.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.471 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 37.5 tt0 -82.09 -34.56 29.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.129 -1.029 . . . . 0.0 108.358 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 1.4 t80 -69.99 -38.83 76.12 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.167 -0.958 . . . . 0.0 108.949 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.81 -44.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.3 -0.875 . . . . 0.0 111.021 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.5 -39.92 81.34 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.523 -0.735 . . . . 0.0 110.138 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.66 -40.0 76.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.385 -0.822 . . . . 0.0 109.098 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 75.1 t -61.4 -42.48 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 109.643 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.514 0.674 . . . . 0.0 109.411 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.18 -40.01 86.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.463 -1.398 . . . . 0.0 107.93 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.587 ' O ' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -54.56 -31.1 56.0 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -41.58 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.684 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.39 -20.81 61.38 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.237 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' B' ' 44' ' ' PHE . 1.4 m -130.28 30.65 4.73 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.856 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 23.3 t-20 . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.11 -0.993 . . . . 0.0 110.008 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.5 mp0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.287 0.565 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.552 ' HG ' HG13 ' B' ' 14' ' ' VAL . 31.4 mt -70.06 -41.6 73.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.904 . . . . 0.0 111.15 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.69 -41.1 98.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.813 -1.179 . . . . 0.0 109.873 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.88 -39.94 96.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 110.982 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.93 87.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.966 -1.084 . . . . 0.0 110.293 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.98 -35.93 76.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.283 -0.886 . . . . 0.0 110.162 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.518 -1.364 . . . . 0.0 108.084 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -62.58 -39.98 95.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.651 -0.656 . . . . 0.0 110.035 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.37 -40.23 87.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.745 -1.222 . . . . 0.0 110.309 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.88 -40.13 91.31 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.032 -1.042 . . . . 0.0 111.624 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.525 HG13 ' HG ' ' B' ' 4' ' ' LEU . 21.5 t -69.92 -38.28 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.81 -1.181 . . . . 0.0 110.138 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.49 -39.99 68.07 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -65.39 -23.45 66.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.632 -0.668 . . . . 0.0 109.248 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 -55.21 38.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.952 -1.092 . . . . 0.0 109.879 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -74.18 -40.08 62.77 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.719 -1.238 . . . . 0.0 110.471 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m -82.83 -7.51 59.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.072 -1.018 . . . . 0.0 110.157 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.41 0 O-C-N 121.182 -0.949 . . . . 0.0 111.462 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' LYS . 62.3 m-85 -49.7 168.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 108.446 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.645 ' HZ3' ' CD2' ' A' ' 36' ' ' LEU . 17.0 tptp -51.6 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.739 -1.226 . . . . 0.0 109.64 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.33 -176.81 0.42 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.596 -1.315 . . . . 0.0 110.811 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -52.13 148.9 5.73 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 110.866 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.629 -0.67 . . . . 0.0 111.338 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.56 -52.45 61.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.593 -1.317 . . . . 0.0 111.031 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -39.96 94.62 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.055 . . . . 0.0 108.574 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.37 -45.05 55.03 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.382 -0.824 . . . . 0.0 109.463 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -60.02 -49.02 79.3 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.328 -1.482 . . . . 0.0 110.718 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.12 -28.6 66.69 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.55 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.645 ' CD2' ' HZ3' ' A' ' 27' ' ' LYS . 43.8 tp -70.53 -54.87 10.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 111.153 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.98 -51.14 70.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.648 -1.283 . . . . 0.0 110.342 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -58.72 -20.76 51.81 Favored 'General case' 0 C--N 1.277 -2.556 0 O-C-N 120.88 -1.137 . . . . 0.0 109.777 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.46 -31.98 32.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.209 -0.932 . . . . 0.0 109.828 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.84 -39.08 15.13 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.335 -0.853 . . . . 0.0 108.774 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -90.4 33.62 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.04 -40.08 88.15 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.246 -0.909 . . . . 0.0 110.695 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 32.4 t -64.2 -29.88 70.97 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.013 -1.054 . . . . 0.0 108.93 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 33.3 m-85 -60.01 -41.52 92.32 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 117.606 -1.638 . . . . 0.0 107.713 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.74 -2.33 0.22 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.978 -1.076 . . . . 0.0 108.779 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 44' ' ' PHE . 84.6 m-20 -59.95 -39.96 87.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.91 -1.119 . . . . 0.0 108.966 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.194 -0.941 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -62.91 123.47 18.58 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.148 0.975 . . . . 0.0 109.573 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -104.67 -47.73 3.98 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.704 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -97.07 86.55 3.99 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.182 -0.949 . . . . 0.0 109.526 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.51 -18.97 58.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.51 -39.94 73.82 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.7 -0.625 . . . . 0.0 109.419 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -50.84 58.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.257 -0.902 . . . . 0.0 108.93 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t -59.44 -39.38 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.407 -0.808 . . . . 0.0 108.934 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.01 -39.96 87.59 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.249 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.17 -39.99 93.67 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.854 0.835 . . . . 0.0 109.026 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.1 mt -60.06 -50.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.803 -0.56 . . . . 0.0 110.373 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -23.91 57.74 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.553 -0.717 . . . . 0.0 110.198 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.03 -39.98 83.01 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.327 -0.858 . . . . 0.0 109.675 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.21 -48.46 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.075 -1.015 . . . . 0.0 111.339 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -73.45 -23.63 60.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.034 -1.041 . . . . 0.0 109.664 -179.163 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.42 -33.31 60.94 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.168 -0.958 . . . . 0.0 108.7 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.7 -40.0 90.6 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.742 0.782 . . . . 0.0 108.931 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 66' ' ' ASP . 37.6 p-10 -159.7 64.07 0.37 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -46.3 -16.18 0.16 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ASN . 95.5 m-20 -86.62 0.02 55.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.458 -1.024 . . . . 0.0 109.668 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -63.34 -145.23 0.02 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -155.72 154.26 31.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -134.98 154.21 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.437 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.24 0.95 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.215 -0.928 . . . . 0.0 109.939 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.2 p90 -60.03 -48.42 81.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.707 -0.621 . . . . 0.0 111.668 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.706 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -71.72 -29.15 64.23 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 120.379 -1.451 . . . . 0.0 109.279 -178.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 29.2 tp10 -82.17 -36.34 27.46 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -69.98 -38.95 76.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.805 . . . . 0.0 109.269 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.41 -41.34 56.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 121.352 -0.842 . . . . 0.0 110.584 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.97 -40.2 78.36 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 121.563 -0.711 . . . . 0.0 111.129 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.84 -35.82 64.85 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.364 -0.835 . . . . 0.0 109.785 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.05 -40.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.325 -0.859 . . . . 0.0 108.889 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.03 85.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 64.5 tp -62.38 -39.99 94.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.08 -1.012 . . . . 0.0 109.005 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -54.01 -37.52 64.13 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.106 -0.997 . . . . 0.0 108.469 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -27.44 37.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 81' ' ' LEU . . . -59.97 -39.93 87.34 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.941 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -143.71 65.17 1.32 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.939 -1.101 . . . . 0.0 108.97 -177.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 N--CA 1.497 1.92 0 O-C-N 121.267 -0.895 . . . . 0.0 109.02 179.407 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.9 mp0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.32 0.581 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.525 ' HG ' HG13 ' A' ' 14' ' ' VAL . 32.3 mt -70.01 -41.58 74.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.201 -0.937 . . . . 0.0 111.082 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.63 -41.09 98.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.87 -1.144 . . . . 0.0 109.917 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -62.98 -40.01 96.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.805 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.89 88.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.028 -1.045 . . . . 0.0 110.381 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.95 -36.07 76.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.34 -0.85 . . . . 0.0 110.227 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.697 -1.252 . . . . 0.0 108.003 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.56 -39.98 95.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp -59.72 -40.07 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.531 -0.731 . . . . 0.0 110.04 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.435 HD13 HG23 ' B' ' 12' ' ' ILE . 90.7 mt -62.18 -40.34 87.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.784 -1.198 . . . . 0.0 110.249 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -65.72 -40.25 92.03 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 0.0 111.553 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.552 HG13 ' HG ' ' A' ' 4' ' ' LEU . 21.2 t -69.98 -38.09 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.728 -1.232 . . . . 0.0 110.266 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.59 -40.0 68.38 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.8 t-80 -65.41 -23.42 66.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -55.36 36.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.984 -1.073 . . . . 0.0 109.947 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.99 -40.22 63.11 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.814 -1.178 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 64.0 m -82.75 -7.58 59.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.196 -0.94 . . . . 0.0 110.251 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.305 0 O-C-N 121.279 -0.888 . . . . 0.0 111.484 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 62.1 m-85 -49.56 168.54 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.644 ' HZ3' ' CD2' ' B' ' 36' ' ' LEU . 17.1 tptp -51.73 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.709 -1.244 . . . . 0.0 109.567 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.29 -176.84 0.42 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.536 -1.352 . . . . 0.0 110.867 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -51.97 149.07 5.3 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.872 -1.143 . . . . 0.0 110.802 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -60.2 -40.01 88.55 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.577 -0.702 . . . . 0.0 111.384 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -63.46 -52.37 61.71 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.656 -1.278 . . . . 0.0 111.042 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -40.0 94.69 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.993 -1.067 . . . . 0.0 108.498 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.482 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -50.22 -45.1 53.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -60.0 -49.31 78.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.313 -1.492 . . . . 0.0 110.687 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.89 -28.72 66.42 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 118.306 -1.357 . . . . 0.0 109.648 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.644 ' CD2' ' HZ3' ' B' ' 27' ' ' LYS . 41.7 tp -70.53 -54.8 10.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.111 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.0 -51.06 71.26 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.698 -1.251 . . . . 0.0 110.284 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -58.7 -20.83 52.1 Favored 'General case' 0 C--N 1.278 -2.502 0 O-C-N 120.895 -1.128 . . . . 0.0 109.841 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.38 -32.1 33.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 109.826 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -38.59 15.44 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.329 -0.857 . . . . 0.0 108.806 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -90.61 33.57 0.91 Allowed 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.03 -40.28 88.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.329 -0.857 . . . . 0.0 110.656 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 31.1 t -64.02 -29.99 71.1 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.006 -1.059 . . . . 0.0 109.085 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.532 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 33.3 m-85 -59.98 -41.3 91.71 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.488 -1.685 . . . . 0.0 107.671 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.85 -2.24 0.22 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.008 -1.058 . . . . 0.0 108.866 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' B' ' 44' ' ' PHE . 84.9 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.001 -1.062 . . . . 0.0 108.926 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.141 -0.974 . . . . 0.0 109.728 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -63.19 123.46 18.69 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 122.128 0.966 . . . . 0.0 109.523 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -104.5 -47.92 3.96 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.685 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.0 86.47 3.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.21 -0.931 . . . . 0.0 109.576 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.41 -18.96 58.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.331 -0.856 . . . . 0.0 108.914 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.55 -40.05 73.61 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.699 -0.626 . . . . 0.0 109.314 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.17 -51.01 58.94 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.264 -0.897 . . . . 0.0 108.862 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.42 -39.33 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 119.743 -0.783 . . . . 0.0 108.896 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.99 -40.08 87.92 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.488 -0.757 . . . . 0.0 110.197 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -40.04 93.8 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.326 -0.858 . . . . 0.0 109.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.97 -50.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.725 -0.609 . . . . 0.0 110.513 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -23.77 58.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.08 -40.01 82.76 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.32 -0.863 . . . . 0.0 109.625 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.26 -48.34 76.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.156 -0.965 . . . . 0.0 111.302 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' B' ' 65' ' ' GLY . 1.0 OUTLIER -73.56 -23.83 60.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.026 -1.047 . . . . 0.0 109.616 -179.157 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.18 -33.55 61.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 0.0 108.785 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.769 0.795 . . . . 0.0 108.959 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' B' ' 66' ' ' ASP . 37.5 p-10 -159.72 64.17 0.37 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -46.24 -16.23 0.16 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.0 m-20 -86.84 0.09 55.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.465 -1.021 . . . . 0.0 109.648 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -63.34 -145.22 0.02 OUTLIER Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -155.72 154.33 31.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.323 -1.104 . . . . 0.0 110.085 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.99 154.11 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.23 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.146 -0.972 . . . . 0.0 109.919 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.7 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.1 p90 -60.02 -48.68 80.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.688 -0.633 . . . . 0.0 111.661 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.7 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -71.34 -29.31 64.84 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.273 -1.517 . . . . 0.0 109.443 -178.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.432 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 28.5 tp10 -82.05 -36.01 28.13 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.393 -0.817 . . . . 0.0 108.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -69.99 -39.28 76.02 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.778 0.799 . . . . 0.0 109.218 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.19 -41.5 58.39 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 O-C-N 121.401 -0.812 . . . . 0.0 110.487 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.02 -40.08 78.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.68 -0.637 . . . . 0.0 111.088 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.77 -36.07 65.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.406 -0.809 . . . . 0.0 109.795 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.88 -40.05 78.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 108.971 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.93 85.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' B' ' 84' ' ' ALA . 62.5 tp -62.52 -40.03 95.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 108.935 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -53.91 -37.49 63.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.968 -1.083 . . . . 0.0 108.527 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -27.43 38.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' B' ' 81' ' ' LEU . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.021 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -143.75 65.05 1.32 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.021 -1.049 . . . . 0.0 108.93 -177.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 32.0 m120 . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.346 -0.846 . . . . 0.0 108.961 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.53 ' HB3' HG22 ' B' ' 14' ' ' VAL . 43.4 mt-10 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.877 ' CD1' ' CG1' ' B' ' 14' ' ' VAL . 6.2 mp -69.95 -41.54 74.42 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.994 -1.066 . . . . 0.0 110.82 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.66 -45.04 95.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.817 -1.177 . . . . 0.0 109.741 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.9 m -60.27 -39.9 88.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.568 -0.708 . . . . 0.0 109.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.19 88.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 110.461 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -42.82 95.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.938 -1.101 . . . . 0.0 110.361 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.9 -40.21 96.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.409 -0.807 . . . . 0.0 110.519 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 91.8 mt -59.65 -40.03 86.34 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.092 -1.005 . . . . 0.0 110.165 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.42 -46.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.94 -1.1 . . . . 0.0 110.807 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.023 -1.048 . . . . 0.0 110.284 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.852 ' CG1' HD13 ' B' ' 4' ' ' LEU . 75.4 t -64.07 -39.77 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.174 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 6.4 m-30 -57.12 -39.88 75.99 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.0 t60 -56.7 -29.31 62.27 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.42 69.74 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.011 -1.056 . . . . 0.0 110.167 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -78.71 -40.44 33.7 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.451 -1.405 . . . . 0.0 110.736 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 22.3 m -100.88 17.47 22.08 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.059 -1.026 . . . . 0.0 111.085 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.484 1.842 0 C-N-CA 118.673 -1.727 . . . . 0.0 109.537 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 N--CA 1.499 2.001 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . 75.2 m-85 -49.99 171.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 28.2 tptp -56.89 -80.97 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.092 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD11 ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -171.77 161.01 5.82 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.075 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.458 ' H ' HD11 ' A' ' 28' ' ' LEU . 16.5 m -50.09 148.3 3.47 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 177.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HZ3' ' CG1' ' A' ' 69' ' ' VAL . 45.4 mttm -53.29 -49.17 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.501 -1.374 . . . . 0.0 110.351 -178.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.38 -44.09 75.75 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.674 -1.266 . . . . 0.0 111.442 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -70.81 -40.1 72.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.817 -1.177 . . . . 0.0 109.71 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.2 tm? -54.51 -47.8 72.65 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.928 -0.483 . . . . 0.0 111.192 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.633 ' HZ2' ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.941 -1.724 . . . . 0.0 110.845 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.66 -27.63 67.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.619 -1.301 . . . . 0.0 109.51 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -59.91 2.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.639 -0.663 . . . . 0.0 111.41 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 10.9 mp -78.0 -39.81 41.02 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.571 -1.331 . . . . 0.0 113.075 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -54.52 -32.43 58.1 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.359 -1.463 . . . . 0.0 108.075 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -74.43 -39.86 62.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -35.91 75.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.12 31.58 1.88 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.909 -1.12 . . . . 0.0 110.475 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 67.6 m -61.45 -32.89 72.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 108.911 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.517 ' C ' ' H ' ' A' ' 46' ' ' ASP . 33.3 m-85 -59.84 -39.63 85.82 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.061 -1.456 . . . . 0.0 107.272 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 mt -57.39 -5.43 0.32 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 44' ' ' PHE . 65.0 m-20 -50.31 -34.91 25.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.02 -1.05 . . . . 0.0 108.893 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -140.02 100.58 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.244 -0.91 . . . . 0.0 110.451 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 10.2 pt20 -70.01 114.96 8.68 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.666 -1.272 . . . . 0.0 108.967 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 84' ' ' ALA . 35.9 mmtm -90.02 -79.76 0.33 Allowed 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.646 -0.659 . . . . 0.0 109.546 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -99.86 101.6 12.78 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 122.095 0.95 . . . . 0.0 110.14 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.05 -17.95 61.98 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -71.03 -39.99 71.98 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.691 -0.63 . . . . 0.0 109.32 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.4 -50.99 63.39 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.281 -0.887 . . . . 0.0 109.352 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.539 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -60.02 -36.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -60.22 -39.82 87.99 Favored 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.476 -0.765 . . . . 0.0 110.09 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.88 -40.0 83.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.901 -1.124 . . . . 0.0 109.076 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -40.08 82.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 109.554 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.633 ' CE ' ' HZ2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -60.53 -29.04 68.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.395 -0.815 . . . . 0.0 109.615 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.67 -39.48 88.54 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.979 -1.076 . . . . 0.0 109.892 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 65.4 mm-40 -68.12 -39.95 82.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.893 -1.129 . . . . 0.0 110.485 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.51 -30.32 68.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 111.617 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.1 t0 -92.44 -31.04 15.43 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.11 -0.994 . . . . 0.0 111.109 -177.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.488 ' CG ' HD21 ' A' ' 64' ' ' ASN . 18.5 pt-20 -70.22 -31.12 68.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.159 -0.963 . . . . 0.0 108.966 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.488 HD21 ' CG ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -159.45 53.34 0.38 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.477 -0.765 . . . . 0.0 109.178 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.72 -27.69 9.7 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -82.2 -3.14 54.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.426 -1.044 . . . . 0.0 110.204 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.96 -145.41 0.16 Allowed Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -157.61 155.18 29.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.123 -1.222 . . . . 0.0 111.289 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.579 ' CG1' ' HZ3' ' A' ' 30' ' ' LYS . 13.7 m -131.54 157.27 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.498 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 13.6 m-20 -124.96 -155.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 31.6 p90 -63.8 -45.51 89.36 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.39 -0.819 . . . . 0.0 112.373 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.65 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.2 tt0 -75.22 -32.29 61.12 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.387 -1.446 . . . . 0.0 109.553 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 71.9 mt-10 -78.5 -39.91 36.81 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.188 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -79.81 -31.87 40.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.63 -1.294 . . . . 0.0 108.535 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 71' ' ' PHE . 59.4 t -69.76 -39.92 78.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 C-N-CA 118.916 -1.114 . . . . 0.0 109.327 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.54 -40.13 81.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.413 -0.804 . . . . 0.0 109.844 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.59 -36.75 81.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.972 -1.08 . . . . 0.0 109.764 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.71 -40.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.324 -0.86 . . . . 0.0 109.628 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.77 87.07 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.98 84.21 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.61 -39.99 95.52 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.77 -1.206 . . . . 0.0 109.546 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -60.48 -40.04 89.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.512 ' CG1' ' CB ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -59.71 -37.26 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.605 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -70.02 -22.18 63.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.788 -0.57 . . . . 0.0 109.915 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 84' ' ' ALA . 3.5 m -149.47 65.56 1.01 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.615 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.503 ' HB3' HG23 ' A' ' 14' ' ' VAL . 43.7 mt-10 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.865 0.364 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.852 HD13 ' CG1' ' A' ' 14' ' ' VAL . 6.2 mp -70.11 -41.46 73.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.938 -1.101 . . . . 0.0 110.526 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.1 -45.74 93.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.854 -1.154 . . . . 0.0 109.842 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.1 m -59.94 -40.11 87.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.18 87.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.555 -0.716 . . . . 0.0 110.419 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -43.14 95.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.024 -1.047 . . . . 0.0 110.278 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.64 -40.15 96.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.042 -1.037 . . . . 0.0 110.189 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -64.98 -39.89 94.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.488 -0.758 . . . . 0.0 110.68 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.8 mt -60.07 -39.67 86.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.143 -0.973 . . . . 0.0 110.129 -178.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -46.42 96.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 O-C-N 121.001 -1.062 . . . . 0.0 110.644 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -61.23 -40.14 92.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.997 -1.065 . . . . 0.0 110.168 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.877 ' CG1' ' CD1' ' A' ' 4' ' ' LEU . 64.8 t -63.64 -39.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.391 -0.818 . . . . 0.0 110.18 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 6.5 m-30 -57.01 -40.11 76.02 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 20' ' ' GLY . 72.8 t60 -56.64 -29.27 62.06 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.99 -51.5 69.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.987 -1.071 . . . . 0.0 110.155 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -78.52 -40.74 34.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.564 -1.335 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 19.9 m -100.95 17.86 21.17 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.484 1.864 0 C-N-CA 118.388 -1.863 . . . . 0.0 109.546 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' B' ' 19' ' ' SER . 73.4 m-85 -50.18 171.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.471 ' O ' ' OG ' ' B' ' 19' ' ' SER . 29.0 tptp -56.88 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.53 -1.356 . . . . 0.0 108.089 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.449 HD12 ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -171.34 161.0 6.35 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.99 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.449 ' H ' HD12 ' B' ' 28' ' ' LEU . 20.0 m -50.21 147.79 3.95 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 177.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HZ2' ' CG1' ' B' ' 69' ' ' VAL . 46.5 mttm -52.9 -49.25 66.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.311 -1.493 . . . . 0.0 110.522 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.19 -44.45 75.32 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.677 -1.264 . . . . 0.0 111.29 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.58 -39.91 73.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.87 -1.144 . . . . 0.0 109.758 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.2 tm? -54.46 -47.41 72.95 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.92 -0.487 . . . . 0.0 111.357 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.635 ' HZ2' ' CE ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -67.54 -40.09 85.02 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.036 -1.665 . . . . 0.0 110.652 -177.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.56 -27.7 67.17 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.657 -1.277 . . . . 0.0 109.455 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.04 -59.82 2.55 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 111.567 -178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 10.4 mp -78.45 -40.01 36.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.582 -1.323 . . . . 0.0 112.791 -177.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -53.8 -33.09 54.95 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 108.192 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -74.37 -40.0 62.38 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -35.47 76.87 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.84 31.43 2.1 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 m -60.11 -40.13 88.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.863 -1.148 . . . . 0.0 110.356 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.3 m -60.79 -33.24 72.68 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.507 ' C ' ' H ' ' B' ' 46' ' ' ASP . 33.8 m-85 -59.93 -39.63 86.18 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 118.236 -1.386 . . . . 0.0 107.38 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 mt -57.84 -5.23 0.38 Allowed 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' B' ' 44' ' ' PHE . 64.2 m-20 -50.13 -34.9 23.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.972 -1.08 . . . . 0.0 108.846 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.0 p -140.09 100.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.185 -0.947 . . . . 0.0 110.475 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 48' ' ' GLN . 10.1 pt20 -69.88 115.13 8.75 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.697 -1.252 . . . . 0.0 108.959 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 84' ' ' ALA . 35.4 mmtm -89.93 -79.95 0.33 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.574 -0.704 . . . . 0.0 109.486 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -99.62 101.52 12.75 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 122.156 0.979 . . . . 0.0 110.299 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.12 -17.85 61.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.347 -0.846 . . . . 0.0 108.991 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -71.29 -39.94 71.17 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.717 -0.614 . . . . 0.0 109.375 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.51 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.53 -51.0 63.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.41 -0.807 . . . . 0.0 109.214 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.535 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.9 OUTLIER -59.92 -37.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.84 -40.17 87.63 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.436 -0.79 . . . . 0.0 109.743 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.38 -39.95 85.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.937 -1.102 . . . . 0.0 109.374 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.14 -40.15 82.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.384 -0.823 . . . . 0.0 109.427 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.635 ' CE ' ' HZ2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -60.2 -29.64 68.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.625 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.1 -39.7 87.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.942 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 65.0 mm-40 -68.0 -39.98 83.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.999 -1.063 . . . . 0.0 110.594 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -69.34 -30.65 68.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.442 -178.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 49.4 t0 -92.18 -31.12 15.59 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.066 -1.021 . . . . 0.0 111.08 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.505 ' CG ' HD21 ' B' ' 64' ' ' ASN . 18.4 pt-20 -70.1 -31.36 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.136 -0.978 . . . . 0.0 109.082 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.505 HD21 ' CG ' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -158.99 53.71 0.41 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.563 -0.711 . . . . 0.0 109.117 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.97 -27.91 11.18 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -82.01 -2.9 53.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -1.036 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.46 -145.33 0.2 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -157.35 155.72 31.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.254 . . . . 0.0 111.487 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.603 ' CG1' ' HZ2' ' B' ' 30' ' ' LYS . 13.9 m -132.02 157.1 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.501 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 12.4 m-20 -124.67 -154.94 0.64 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 30.8 p90 -64.23 -45.09 89.72 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.404 -0.81 . . . . 0.0 112.349 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.644 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.1 tt0 -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.413 -1.429 . . . . 0.0 109.726 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 71.5 mt-10 -78.33 -39.91 38.13 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.137 -177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -80.04 -31.78 39.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.663 -1.273 . . . . 0.0 108.557 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' B' ' 71' ' ' PHE . 64.7 t -70.02 -40.06 78.08 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.252 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.29 -40.01 81.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.405 -0.809 . . . . 0.0 110.0 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.66 -37.15 81.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.984 -1.072 . . . . 0.0 109.855 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.28 -40.04 79.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 O-C-N 121.361 -0.837 . . . . 0.0 109.511 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.77 87.72 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.64 83.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.94 -40.18 96.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.637 -1.29 . . . . 0.0 109.539 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -60.16 -39.84 87.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.51 ' CG1' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -60.09 -37.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -70.02 -22.08 63.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.446 ' SG ' ' C ' ' B' ' 84' ' ' ALA . 3.8 m -149.69 65.46 0.99 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.629 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.106 0.479 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.461 ' N ' HG12 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -69.85 -40.04 76.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.013 -1.054 . . . . 0.0 109.399 -179.354 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.631 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 10.6 tp10 -59.96 -40.07 87.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.32 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.001 -1.062 . . . . 0.0 109.697 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.69 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.605 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.357 -0.84 . . . . 0.0 109.529 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.91 -40.0 87.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -59.91 -39.75 86.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.88 -39.99 87.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.001 -1.062 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -41.33 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.64 -1.287 . . . . 0.0 109.442 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -62.0 -40.0 94.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.401 -0.812 . . . . 0.0 111.253 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' N ' ' B' ' 4' ' ' LEU . 38.8 t -70.09 -39.95 77.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 O-C-N 120.481 -1.387 . . . . 0.0 111.523 -178.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -54.52 -37.11 64.98 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.438 -1.414 . . . . 0.0 107.614 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' GLY . 83.9 t60 -60.09 -39.76 87.22 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.331 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -53.51 57.56 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 111.031 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -74.73 -40.78 61.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.525 -1.359 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -89.67 -1.06 57.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.12 -0.988 . . . . 0.0 111.15 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.4 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.243 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' TYR . 19.7 ttpp . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 88.1 m-85 -54.52 -172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 11.4 tppt? -67.1 -80.39 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.233 -1.542 . . . . 0.0 109.038 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD11 ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -174.86 177.71 1.97 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.517 ' H ' HD11 ' A' ' 28' ' ' LEU . 42.5 t -69.99 149.32 47.85 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 60' ' ' GLU . 3.0 mtmt -54.51 -40.11 68.24 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.395 -1.441 . . . . 0.0 109.596 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.98 -51.49 67.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.011 -1.68 . . . . 0.0 110.199 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.9 tp10 -66.01 -40.06 90.78 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.638 -1.289 . . . . 0.0 108.214 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -44.82 -41.59 7.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 5.9 tptp -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.144 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLU . 57.5 t0 -59.57 -33.95 72.07 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.692 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 9.2 mp -72.78 -56.08 5.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.363 -0.836 . . . . 0.0 111.659 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -47.47 85.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.87 -1.144 . . . . 0.0 111.679 -177.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.48 -17.22 63.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.546 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -81.72 -36.24 28.86 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.405 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.653 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 10.8 pt-20 -89.08 -6.7 56.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.089 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.7 29.99 7.37 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -41.09 91.41 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.303 -0.873 . . . . 0.0 110.954 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' A' ' 44' ' ' PHE . 96.8 p -75.37 -35.84 61.04 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 108.971 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.1 m-85 -60.42 -39.5 87.63 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.35 2.5 0.25 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 44' ' ' PHE . 79.8 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.954 -1.091 . . . . 0.0 109.223 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.57 99.31 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.333 -0.854 . . . . 0.0 109.903 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.5 115.02 6.65 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.09 -1.006 . . . . 0.0 108.783 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -91.66 -74.97 0.49 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.714 . . . . 0.0 110.006 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -98.03 104.27 16.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.02 -1.05 . . . . 0.0 109.927 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.82 -16.65 60.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -70.62 -39.55 73.68 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.03 60.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.492 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -59.92 -36.77 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 43.4 t0 -59.98 -40.07 87.88 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.619 -0.675 . . . . 0.0 110.259 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.14 -38.81 86.17 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.012 -1.055 . . . . 0.0 109.638 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.0 -40.05 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 121.573 -0.704 . . . . 0.0 109.35 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.622 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.75 -33.84 76.55 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.326 -0.859 . . . . 0.0 109.301 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -41.85 96.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.081 -1.012 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 71.6 mm-40 -60.1 -40.31 89.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.889 -1.132 . . . . 0.0 110.118 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' GLY . 18.6 mt -66.38 -25.21 66.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.041 0.924 . . . . 0.0 108.58 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.23 -29.14 38.43 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -59.99 -41.51 92.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.634 HD21 ' CA ' ' A' ' 67' ' ' GLY . 48.6 t30 -169.08 73.88 0.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -49.59 -25.65 6.78 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -87.42 0.16 55.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -1.094 . . . . 0.0 109.888 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.634 ' CA ' HD21 ' A' ' 64' ' ' ASN . . . -63.21 -152.34 0.05 OUTLIER Glycine 0 N--CA 1.477 1.421 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CG ' ' A' ' 26' ' ' TYR . 85.7 tt0 -146.91 152.76 39.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.498 -1.001 . . . . 0.0 110.454 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 m -133.68 160.32 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 90.5 m-20 -128.12 -160.11 0.99 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.34 0.59 . . . . 0.0 109.61 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.2 p90 -61.88 -45.09 95.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.81 . . . . 0.0 111.69 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.4 tt0 -70.8 -31.49 68.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.931 -1.106 . . . . 0.0 109.837 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.9 mt-10 -76.88 -35.68 57.26 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.987 -1.071 . . . . 0.0 108.887 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 56.9 t80 -69.94 -39.41 76.1 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.115 0.959 . . . . 0.0 109.407 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.84 -42.01 53.83 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.588 -0.695 . . . . 0.0 111.508 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.28 -40.91 78.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 121.548 -0.72 . . . . 0.0 110.598 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tp -74.4 -32.3 62.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 109.728 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 53.0 t -70.0 -40.23 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.302 -0.874 . . . . 0.0 109.187 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.91 95.88 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -60.79 -36.39 78.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.99 -37.73 75.79 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.403 -1.436 . . . . 0.0 108.969 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.01 -40.04 87.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.9 . . . . 0.0 110.178 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 HG22 ' OE1' ' B' ' 72' ' ' GLN . 1.4 p -58.43 -31.96 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 108.999 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.12 -24.22 64.08 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.866 -0.521 . . . . 0.0 110.465 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 84' ' ' ALA . 1.5 m -147.74 52.62 1.04 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.482 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.065 0.459 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.48 ' N ' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.991 -1.068 . . . . 0.0 109.464 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.653 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 10.6 tp10 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.254 -0.904 . . . . 0.0 110.183 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -60.04 -40.34 89.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.965 -1.084 . . . . 0.0 109.563 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.59 79.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.415 -0.803 . . . . 0.0 109.73 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.407 -0.808 . . . . 0.0 109.493 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.02 -39.8 87.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 0.0 108.718 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -59.98 -39.84 87.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.799 . . . . 0.0 109.591 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.02 87.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.955 -1.091 . . . . 0.0 109.869 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.99 -41.15 85.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.832 -1.167 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -62.42 -39.86 94.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.553 -0.717 . . . . 0.0 111.322 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 4' ' ' LEU . 40.7 t -70.03 -40.07 78.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.492 -1.38 . . . . 0.0 111.55 -178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -54.27 -37.18 64.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.482 -1.387 . . . . 0.0 107.595 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' B' ' 20' ' ' GLY . 83.5 t60 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -53.55 57.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.981 -1.075 . . . . 0.0 110.98 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -74.81 -40.57 61.02 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.442 -1.411 . . . . 0.0 110.844 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -89.76 -0.97 57.87 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.053 -1.029 . . . . 0.0 111.165 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.47 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 17.4 ttpp . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.46 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 87.1 m-85 -54.71 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' B' ' 28' ' ' LEU . 11.2 tppt? -66.77 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.378 -1.451 . . . . 0.0 109.071 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.499 HD11 ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -174.66 177.9 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' HD11 ' B' ' 28' ' ' LEU . 44.9 t -70.04 149.29 47.83 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.486 ' CE ' ' O ' ' B' ' 60' ' ' GLU . 2.8 mtmt -54.35 -40.46 68.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.337 -1.477 . . . . 0.0 109.651 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.7 -51.83 66.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.013 -1.68 . . . . 0.0 110.256 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 35' ' ' ASP . 54.7 tp10 -65.71 -40.3 92.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.633 -1.292 . . . . 0.0 108.162 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.42 ' CD2' ' C ' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -44.45 -41.93 6.66 Favored 'General case' 0 C--O 1.2 -1.5 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' CD2' ' B' ' 33' ' ' LEU . 5.6 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 32' ' ' GLU . 58.3 t0 -59.58 -33.79 71.89 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.761 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' B' ' 36' ' ' LEU . 9.1 mp -72.77 -56.18 5.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.308 -0.87 . . . . 0.0 111.676 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.476 ' CD2' ' CE2' ' B' ' 74' ' ' PHE . 0.2 OUTLIER -60.05 -47.36 86.2 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.814 -1.179 . . . . 0.0 111.749 -177.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -69.4 -17.43 63.66 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 1.8 m -81.64 -36.03 29.31 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.549 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.631 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 10.6 pt-20 -89.41 -6.4 56.6 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.359 -0.838 . . . . 0.0 109.964 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.61 29.85 7.48 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.198 -0.939 . . . . 0.0 109.65 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -59.97 -41.31 91.67 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.321 -0.862 . . . . 0.0 110.965 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 96.2 p -75.03 -36.25 61.88 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.53 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.7 m-85 -60.0 -39.94 87.47 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.93 2.42 0.21 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' B' ' 44' ' ' PHE . 80.3 m-20 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.911 -1.118 . . . . 0.0 109.232 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.62 99.34 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.293 -0.879 . . . . 0.0 110.014 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.25 114.75 6.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.12 -0.987 . . . . 0.0 108.78 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -91.44 -75.18 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.672 -0.642 . . . . 0.0 109.806 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -98.08 104.4 16.43 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.047 -1.033 . . . . 0.0 109.961 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.65 -17.08 60.74 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.42 -39.8 74.22 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.25 58.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.352 -0.842 . . . . 0.0 109.463 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.493 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.9 OUTLIER -59.89 -36.72 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 44.1 t0 -60.0 -40.0 87.7 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.26 -38.73 85.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.911 -1.118 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 75.1 mt -59.97 -40.08 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.569 0.699 . . . . 0.0 109.395 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -63.81 -33.68 76.21 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.315 -0.865 . . . . 0.0 109.343 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.27 -41.65 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.056 . . . . 0.0 110.999 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.486 ' O ' ' CE ' ' B' ' 30' ' ' LYS . 71.8 mm-40 -60.05 -40.46 89.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 110.074 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 65' ' ' GLY . 16.2 mt -66.58 -24.97 66.42 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.05 -29.2 39.22 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.05 -41.49 92.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.635 HD21 ' CA ' ' B' ' 67' ' ' GLY . 48.3 t30 -169.27 74.16 0.09 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -26.02 7.06 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.29 0.45 55.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -1.097 . . . . 0.0 109.838 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.635 ' CA ' HD21 ' B' ' 64' ' ' ASN . . . -63.02 -152.54 0.05 OUTLIER Glycine 0 N--CA 1.479 1.515 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.46 ' OE2' ' CG ' ' B' ' 26' ' ' TYR . 85.8 tt0 -146.89 152.81 39.31 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.525 -0.985 . . . . 0.0 110.399 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 9.8 m -133.83 160.38 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.483 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 89.0 m-20 -128.08 -160.25 1.0 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.4 0.619 . . . . 0.0 109.664 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.2 p90 -61.67 -44.91 96.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 111.734 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.613 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 66.0 tt0 -71.1 -31.37 67.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.937 -1.102 . . . . 0.0 109.85 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.483 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 46.2 mt-10 -76.84 -35.93 57.18 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.008 -1.058 . . . . 0.0 108.864 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.487 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 59.6 t80 -69.66 -40.02 76.7 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.054 0.931 . . . . 0.0 109.35 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.28 -42.08 57.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 121.57 0.7 . . . . 0.0 111.618 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.27 -41.13 78.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.527 -0.733 . . . . 0.0 110.713 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.47 -32.05 62.44 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.506 -0.746 . . . . 0.0 109.758 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 53.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.295 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.81 95.46 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.446 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.405 0.621 . . . . 0.0 109.441 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.79 -37.94 76.48 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.335 -1.478 . . . . 0.0 108.989 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.156 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.45 HG22 ' OE1' ' A' ' 72' ' ' GLN . 1.4 p -58.47 -32.21 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.207 -0.933 . . . . 0.0 108.914 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.15 -23.83 64.0 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.761 -0.587 . . . . 0.0 110.473 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' B' ' 84' ' ' ALA . 1.7 m -147.79 52.4 1.04 Allowed 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.425 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.542 0.687 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 1.114 ' CD2' HD22 ' B' ' 37' ' ' LEU . 4.2 tp -79.24 -54.01 6.39 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 111.185 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.68 -39.62 89.13 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.866 -1.146 . . . . 0.0 109.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.7 m -60.66 -40.54 92.42 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.062 -1.024 . . . . 0.0 110.433 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.81 80.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 111.336 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.63 -39.39 88.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.116 -0.99 . . . . 0.0 110.335 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.8 -40.39 88.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.386 -1.446 . . . . 0.0 108.28 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -63.87 -37.3 86.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.694 -0.629 . . . . 0.0 109.482 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mp -57.06 -44.38 82.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.547 -0.721 . . . . 0.0 109.89 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.5 -41.42 90.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 109.709 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -60.98 -40.99 95.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.261 -0.899 . . . . 0.0 112.054 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -71.14 -40.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.384 -1.447 . . . . 0.0 111.6 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 3.1 m-30 -58.42 -36.69 74.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -60.01 -33.88 72.6 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.0 63.19 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.899 -1.126 . . . . 0.0 109.649 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -71.58 -39.91 70.27 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.392 -1.443 . . . . 0.0 109.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -80.16 -11.8 59.71 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.186 -0.946 . . . . 0.0 110.56 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.171 0 C-N-CA 119.813 -1.184 . . . . 0.0 110.586 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -51.38 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -56.26 -79.72 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.369 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD11 ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -173.29 158.8 3.65 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.328 -0.858 . . . . 0.0 109.434 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' H ' HD11 ' A' ' 28' ' ' LEU . 18.4 m -50.21 152.95 1.59 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.398 -1.439 . . . . 0.0 107.904 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -58.25 -43.06 87.66 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.613 -1.305 . . . . 0.0 111.381 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -60.13 -46.61 89.06 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.267 -1.521 . . . . 0.0 110.719 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -71.16 -40.74 71.11 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.77 -1.206 . . . . 0.0 108.845 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -42.34 -48.54 5.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.623 -0.673 . . . . 0.0 109.514 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.21 -36.59 71.94 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.928 -1.108 . . . . 0.0 112.18 -178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.47 -40.21 95.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.324 -1.485 . . . . 0.0 110.932 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.58 -54.33 14.58 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.304 -0.872 . . . . 0.0 111.91 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 1.16 HD22 ' CD2' ' B' ' 4' ' ' LEU . 15.2 mt -72.03 -39.0 69.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 113.409 -176.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.66 -28.42 67.25 Favored 'General case' 0 C--N 1.284 -2.263 0 O-C-N 120.664 -1.272 . . . . 0.0 108.501 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 m -79.16 -43.83 23.17 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.745 ' CD ' ' HB3' ' B' ' 4' ' ' LEU . 85.3 tt0 -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.179 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.12 32.35 1.17 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.181 -0.95 . . . . 0.0 108.939 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 m -59.66 -39.99 86.27 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.675 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.464 ' HG ' ' N ' ' A' ' 44' ' ' PHE . 83.3 p -60.45 -32.7 71.64 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.251 -0.906 . . . . 0.0 109.07 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' N ' ' HG ' ' A' ' 43' ' ' SER . 56.4 m-85 -65.15 -39.03 92.42 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.12 -10.02 36.84 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 44.6 t0 -50.68 -32.47 19.39 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -163.69 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.266 -0.897 . . . . 0.0 110.004 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.8 124.63 24.49 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.136 -0.977 . . . . 0.0 109.833 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 84' ' ' ALA . 71.0 mmtt -81.24 -69.82 0.58 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -97.85 102.9 14.77 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.05 -1.031 . . . . 0.0 109.601 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -13.76 60.62 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -70.2 -39.87 74.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.87 12.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 108.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.515 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -57.11 -35.05 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.527 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 58.8 t0 -59.79 -40.14 87.29 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.81 -40.54 93.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.487 -0.758 . . . . 0.0 108.992 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.56 -41.01 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.03 -35.31 74.81 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.85 -1.157 . . . . 0.0 109.668 179.654 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 61.7 mttp -62.49 -40.76 97.71 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.246 -0.909 . . . . 0.0 111.937 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -70.4 -39.9 74.23 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.523 -1.36 . . . . 0.0 110.044 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 24.8 mt -68.5 -29.65 68.31 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.453 -0.779 . . . . 0.0 111.683 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -91.49 -33.46 15.19 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.088 -1.007 . . . . 0.0 110.312 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -28.43 64.89 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 108.959 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' GLY . 38.4 t30 -157.91 51.01 0.43 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.695 -0.628 . . . . 0.0 109.557 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.96 -28.24 11.8 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.09 0.1 33.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.452 -1.028 . . . . 0.0 109.005 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -62.92 -151.5 0.04 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -151.51 147.1 26.41 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.475 -1.014 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.72 147.71 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -123.16 -162.03 1.0 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 109.323 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.657 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 1.1 p90 -60.03 -49.42 77.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 111.187 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.4 tm0? -67.27 -38.09 84.52 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.696 -1.253 . . . . 0.0 109.481 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -72.85 -40.03 66.05 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -60.44 -35.92 76.97 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' B' ' 79' ' ' ALA . 40.3 t -74.81 -38.12 43.57 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.371 -0.831 . . . . 0.0 111.705 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.66 -45.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.585 -1.322 . . . . 0.0 111.4 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.38 -38.45 74.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.821 -1.174 . . . . 0.0 110.516 179.433 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.2 t -71.8 -35.37 54.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.025 -1.047 . . . . 0.0 110.099 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HB1' ' CG1' ' B' ' 75' ' ' VAL . . . -63.62 -39.26 93.91 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.516 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -68.13 -22.79 64.85 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 108.735 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -40.08 54.27 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.689 -1.257 . . . . 0.0 108.552 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.449 HG23 ' CE2' ' B' ' 71' ' ' PHE . 88.2 m -68.61 -40.98 80.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.979 -1.076 . . . . 0.0 110.985 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 80' ' ' ALA . 9.8 p -59.65 -38.43 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -58.14 -21.78 48.23 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.3 m -140.92 64.7 1.42 Allowed 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 71' ' ' PHE . 21.0 m120 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.45 0.643 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 1.16 ' CD2' HD22 ' A' ' 37' ' ' LEU . 4.3 tp -77.84 -53.88 6.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 111.204 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.71 -39.48 88.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.976 -1.078 . . . . 0.0 109.636 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.23 -40.08 92.68 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.14 -0.975 . . . . 0.0 110.459 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.9 79.73 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 111.213 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 81.9 mmm -60.59 -38.15 83.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.887 -1.133 . . . . 0.0 110.639 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.385 -1.447 . . . . 0.0 108.336 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -65.23 -35.71 81.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.77 -0.581 . . . . 0.0 109.675 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -58.54 -43.76 89.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.666 -0.646 . . . . 0.0 109.893 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.78 -41.8 92.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 O-C-N 121.045 -1.034 . . . . 0.0 109.518 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -60.53 -41.28 94.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.364 -0.835 . . . . 0.0 112.069 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 t -70.96 -40.3 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.464 -1.398 . . . . 0.0 111.651 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 3.3 m-30 -58.93 -36.32 74.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.446 -1.409 . . . . 0.0 107.457 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.0 t-80 -59.83 -33.85 72.31 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.2 66.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.038 -1.039 . . . . 0.0 109.566 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -71.96 -40.2 68.81 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.383 -1.448 . . . . 0.0 109.966 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 51.0 m -79.99 -11.18 59.8 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.138 -0.977 . . . . 0.0 110.387 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.338 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.666 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -52.46 175.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 19' ' ' SER . 26.6 tptt -55.34 -81.03 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 118.438 -1.305 . . . . 0.0 109.589 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.451 HD11 ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -172.25 158.66 4.53 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 121.269 -0.894 . . . . 0.0 109.396 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.451 ' H ' HD11 ' B' ' 28' ' ' LEU . 32.0 m -49.22 153.73 0.94 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.438 -1.414 . . . . 0.0 107.93 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -59.53 -42.57 92.59 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.263 . . . . 0.0 110.834 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -59.96 -47.37 86.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.156 -1.59 . . . . 0.0 110.742 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.7 tp10 -70.64 -40.54 73.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.706 -1.246 . . . . 0.0 108.716 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.9 tm? -42.55 -49.1 5.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.599 -0.688 . . . . 0.0 109.628 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.448 ' HZ1' ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -70.43 -36.91 74.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.899 -1.126 . . . . 0.0 112.116 -178.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.65 -40.2 96.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.332 -1.48 . . . . 0.0 110.825 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.54 -53.21 20.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.385 -0.822 . . . . 0.0 111.784 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 1.114 HD22 ' CD2' ' A' ' 4' ' ' LEU . 15.4 mt -72.32 -39.87 67.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.939 -1.1 . . . . 0.0 113.292 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -59.17 -28.25 66.43 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 120.816 -1.177 . . . . 0.0 108.53 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -79.39 -42.82 24.66 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.191 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.743 ' CD ' ' HB3' ' A' ' 4' ' ' LEU . 83.6 tt0 -71.36 -36.01 71.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.381 -0.824 . . . . 0.0 109.055 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.74 32.97 0.94 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m -60.16 -39.8 87.65 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.284 -0.885 . . . . 0.0 110.486 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 94.1 p -60.55 -32.8 71.85 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.185 -0.947 . . . . 0.0 108.981 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -64.58 -39.42 93.69 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.89 -10.12 35.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 44.9 t0 -50.52 -32.3 17.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 5.0 p -164.05 92.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.35 -0.844 . . . . 0.0 110.197 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.18 124.16 23.44 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 121.087 -1.008 . . . . 0.0 109.685 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' B' ' 84' ' ' ALA . 68.9 mmtt -81.26 -69.66 0.59 Allowed 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -97.78 103.05 14.95 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 109.66 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.16 -14.46 60.96 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -70.51 -38.65 74.32 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -55.22 11.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.99 . . . . 0.0 108.9 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.501 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.9 OUTLIER -56.84 -35.16 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 57.9 t0 -60.14 -39.81 87.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.839 . . . . 0.0 108.997 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.42 -41.3 93.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.434 -0.791 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.17 -40.85 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 109.785 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.13 -35.76 75.99 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.85 -1.156 . . . . 0.0 109.805 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 62.2 mttp -62.63 -40.36 96.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.021 -1.05 . . . . 0.0 112.082 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.16 -40.1 74.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.523 -1.361 . . . . 0.0 109.958 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.463 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 22.9 mt -68.26 -29.23 67.99 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.505 -0.747 . . . . 0.0 111.637 -178.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.26 -32.24 15.11 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 110.426 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -29.02 64.89 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' B' ' 67' ' ' GLY . 40.7 t30 -157.4 51.31 0.46 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.71 -0.619 . . . . 0.0 109.347 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -27.48 10.36 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -81.18 2.01 29.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.334 -1.098 . . . . 0.0 108.836 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -64.56 -152.02 0.08 OUTLIER Glycine 0 N--CA 1.478 1.453 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -151.6 146.63 25.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.974 . . . . 0.0 110.77 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -128.8 148.0 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 -122.91 -161.38 0.95 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 1.1 p90 -60.22 -50.11 74.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.371 -0.831 . . . . 0.0 111.208 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.8 tm0? -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.818 -1.176 . . . . 0.0 109.567 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -72.64 -40.08 66.67 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -61.02 -33.43 73.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.462 ' CG1' ' HB1' ' A' ' 79' ' ' ALA . 38.3 t -77.65 -37.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 O-C-N 121.348 -0.845 . . . . 0.0 111.301 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.45 -42.98 73.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 120.728 -1.232 . . . . 0.0 111.111 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 77' ' ' LEU . 0.7 OUTLIER -72.73 -38.96 67.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.832 -1.168 . . . . 0.0 110.223 179.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.09 -36.45 63.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.007 -1.058 . . . . 0.0 109.963 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.474 ' HB2' ' CG1' ' A' ' 75' ' ' VAL . . . -62.73 -38.89 92.28 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.515 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -68.09 -22.15 64.93 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.328 1.061 . . . . 0.0 108.665 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -39.97 45.76 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.736 -1.227 . . . . 0.0 108.574 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -68.59 -40.16 80.6 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.045 -1.034 . . . . 0.0 110.691 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.515 HG11 ' O ' ' B' ' 80' ' ' ALA . 9.2 p -60.05 -38.01 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -59.12 -21.68 59.67 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.4 m -140.15 63.36 1.48 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.657 ' ND2' ' CE1' ' A' ' 71' ' ' PHE . 20.6 m120 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.663 0.268 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.513 ' HB2' ' OE1' ' B' ' 40' ' ' GLU . 63.4 mt -72.78 -51.46 18.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.606 -1.309 . . . . 0.0 109.985 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.09 -40.25 88.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.006 -1.059 . . . . 0.0 110.07 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -61.24 -40.0 92.38 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 110.605 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.0 92.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 0.0 110.501 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtp -60.05 -38.54 83.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.172 -0.955 . . . . 0.0 110.214 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -40.01 88.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.131 -1.605 . . . . 0.0 108.264 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.27 -39.14 91.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.444 -0.785 . . . . 0.0 109.014 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 9.0 mp -56.81 -39.87 74.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.534 -0.729 . . . . 0.0 109.426 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mm -59.96 -46.12 94.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.909 -1.119 . . . . 0.0 110.002 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 0.0 110.784 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -62.98 -39.93 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 120.775 -1.203 . . . . 0.0 110.857 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' A' ' 19' ' ' SER . 2.8 m-30 -51.9 -37.6 53.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.434 -1.416 . . . . 0.0 107.514 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.9 t60 -56.69 -38.92 72.94 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.06 9.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.77 -1.206 . . . . 0.0 109.083 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -87.27 -45.96 10.14 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.07 -1.018 . . . . 0.0 110.595 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 15' ' ' PHE . 52.8 p -77.38 -38.85 49.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.069 -1.019 . . . . 0.0 111.537 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.158 0.504 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 27' ' ' LYS . 48.9 m-85 -51.34 169.99 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' TYR . 43.7 tptt -52.45 -93.92 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.586 -1.321 . . . . 0.0 108.855 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.05 -177.21 0.27 Allowed 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.763 -1.211 . . . . 0.0 110.425 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.16 146.56 14.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -59.97 -44.35 94.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.405 -0.81 . . . . 0.0 111.975 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.105 -1.622 . . . . 0.0 110.793 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -79.41 -27.68 41.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.027 -1.045 . . . . 0.0 109.819 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.7 tm? -59.69 -48.82 80.16 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.971 -1.081 . . . . 0.0 109.18 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.77 -38.83 90.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.58 -1.325 . . . . 0.0 109.922 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.326 -1.484 . . . . 0.0 110.572 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.46 -57.23 4.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.862 -1.149 . . . . 0.0 112.463 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -32.01 67.01 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.487 -1.383 . . . . 0.0 112.07 -177.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -60.05 -29.85 68.8 Favored 'General case' 0 C--N 1.281 -2.389 0 O-C-N 120.923 -1.111 . . . . 0.0 108.525 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -70.82 -40.07 72.69 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.149 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' HB2' ' B' ' 4' ' ' LEU . 3.8 pt-20 -85.3 -12.61 51.95 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.829 -1.17 . . . . 0.0 109.201 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.0 mt -100.88 17.35 22.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -60.11 -40.02 88.24 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 69.0 m -61.93 -39.96 93.87 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 28.0 m-85 -61.15 -39.99 92.16 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.14 -7.93 27.09 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 43' ' ' SER . 46.1 t0 -55.54 -38.6 69.49 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 p -145.84 87.45 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.877 -1.14 . . . . 0.0 110.182 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.31 120.56 15.32 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.318 -0.864 . . . . 0.0 109.766 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.1 -64.35 1.21 Allowed 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -99.98 99.55 10.32 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -18.82 61.81 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.429 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -70.95 -38.56 72.83 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.569 -0.707 . . . . 0.0 109.456 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.21 54.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.98 -40.17 92.45 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.836 -0.54 . . . . 0.0 110.671 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -66.48 -39.5 88.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.2 -0.938 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.01 -49.35 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 108.986 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttm -60.05 -28.0 67.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.891 -0.506 . . . . 0.0 109.682 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.82 -38.5 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.281 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.82 -40.1 79.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.838 -1.164 . . . . 0.0 111.506 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.535 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 2.2 mp -78.67 -21.63 47.98 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.55 -1.343 . . . . 0.0 110.015 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -86.96 -29.72 21.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.632 -1.292 . . . . 0.0 109.39 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -82.42 -28.64 31.24 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ASP . 19.4 m120 -143.08 39.47 1.46 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.379 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -46.86 -18.47 0.4 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ASN . 96.0 m-20 -89.78 0.85 56.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.186 -1.184 . . . . 0.0 109.633 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.13 -157.48 2.53 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -145.56 152.54 39.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.718 -0.872 . . . . 0.0 109.736 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.97 150.74 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.339 -0.85 . . . . 0.0 109.078 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.464 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 5.5 m-20 -120.73 -158.25 0.75 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.295 -0.878 . . . . 0.0 110.589 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.76 84.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.718 -0.614 . . . . 0.0 111.859 -177.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.662 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.0 -27.87 65.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.6 -1.312 . . . . 0.0 109.551 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 48.9 mp0 -78.73 -40.01 34.72 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.534 -0.729 . . . . 0.0 109.376 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -39.28 88.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.89 -42.69 46.53 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 O-C-N 121.664 -0.648 . . . . 0.0 111.654 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.451 HG23 HG13 ' B' ' 76' ' ' VAL . 54.4 t -70.22 -40.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.288 -0.883 . . . . 0.0 110.542 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt -70.77 -40.29 72.73 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.793 -0.567 . . . . 0.0 110.536 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -69.95 -40.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.72 93.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.455 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.53 -39.6 88.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.593 0.711 . . . . 0.0 109.169 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.14 -40.31 94.25 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.611 -1.305 . . . . 0.0 109.707 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.623 ' HG1' ' HE2' ' B' ' 8' ' ' MET . 94.6 m -62.42 -39.99 95.08 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.014 -1.053 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.594 ' N ' ' HZ ' ' B' ' 71' ' ' PHE . 2.8 p -50.37 -32.57 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.848 -1.157 . . . . 0.0 108.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.0 -22.62 61.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.982 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 87.1 m -131.04 21.18 4.9 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.222 -0.924 . . . . 0.0 109.564 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 82' ' ' THR . 48.8 t30 . . . . . 0 N--CA 1.494 1.739 0 O-C-N 120.988 -1.07 . . . . 0.0 109.698 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.581 0.229 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.501 ' HB2' ' OE1' ' A' ' 40' ' ' GLU . 61.5 mt -73.16 -51.16 18.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.664 -1.273 . . . . 0.0 109.96 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.02 -40.59 89.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 109.995 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -61.14 -39.97 92.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.85 . . . . 0.0 110.561 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.74 93.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.111 -0.993 . . . . 0.0 110.499 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.623 ' HE2' ' HG1' ' A' ' 82' ' ' THR . 67.4 mtp -60.03 -38.59 83.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.071 -1.018 . . . . 0.0 110.158 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.0 87.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.202 -1.561 . . . . 0.0 108.329 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -62.04 -39.52 92.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.417 -0.802 . . . . 0.0 109.051 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.465 ' O ' ' CE1' ' B' ' 15' ' ' PHE . 9.1 mp -56.65 -39.88 74.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.611 -0.681 . . . . 0.0 109.476 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.88 -46.18 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.94 -1.1 . . . . 0.0 110.003 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -59.98 -39.99 87.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.008 . . . . 0.0 110.882 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.2 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.8 -1.188 . . . . 0.0 110.815 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.546 ' O ' ' N ' ' B' ' 19' ' ' SER . 2.7 m-30 -51.85 -37.56 52.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.45 -1.406 . . . . 0.0 107.535 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' B' ' 20' ' ' GLY . 71.9 t60 -56.72 -38.69 72.69 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.8 -57.08 9.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.802 -1.186 . . . . 0.0 109.067 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -87.51 -45.77 10.19 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.998 -1.064 . . . . 0.0 110.633 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.63 ' HG ' ' N ' ' B' ' 20' ' ' GLY . 53.6 p -77.29 -39.01 49.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.089 -1.007 . . . . 0.0 111.534 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.63 ' N ' ' HG ' ' B' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.493 2.472 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' B' ' 27' ' ' LYS . 48.6 m-85 -51.38 169.95 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 44.0 tptt -52.35 -93.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.592 -1.318 . . . . 0.0 108.921 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.5 -177.16 0.24 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.754 -1.216 . . . . 0.0 110.33 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.435 ' HG ' ' N ' ' B' ' 30' ' ' LYS . 10.9 t -54.04 146.46 14.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.032 -1.042 . . . . 0.0 110.321 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.435 ' N ' ' HG ' ' B' ' 29' ' ' SER . 38.5 mtpt -60.04 -44.05 94.91 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.435 -0.79 . . . . 0.0 112.037 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -60.08 -39.92 87.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.109 -1.619 . . . . 0.0 110.778 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -79.63 -27.8 40.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.986 -1.071 . . . . 0.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.7 tm? -59.54 -49.12 79.01 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.874 -1.141 . . . . 0.0 109.138 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.512 -1.368 . . . . 0.0 109.968 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.93 -40.11 87.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.263 -1.523 . . . . 0.0 110.604 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.61 -57.05 4.74 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.888 -1.132 . . . . 0.0 112.459 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -32.19 67.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.512 -1.367 . . . . 0.0 112.15 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.02 -30.02 68.89 Favored 'General case' 0 C--N 1.281 -2.375 0 O-C-N 121.03 -1.044 . . . . 0.0 108.505 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.6 m -70.78 -39.99 72.86 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.3 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE1' ' HB2' ' A' ' 4' ' ' LEU . 3.9 pt-20 -85.17 -12.84 51.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.891 -1.13 . . . . 0.0 109.129 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -100.77 17.46 21.96 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.338 -0.852 . . . . 0.0 109.899 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 67.8 m -61.83 -39.97 93.66 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 27.6 m-85 -61.29 -39.98 92.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.23 -7.75 26.31 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 43' ' ' SER . 46.2 t0 -55.57 -38.49 69.41 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.084 -1.01 . . . . 0.0 109.217 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 4.4 p -146.06 87.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 120.987 -1.071 . . . . 0.0 110.136 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.61 120.5 15.49 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 121.254 -0.904 . . . . 0.0 109.883 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.562 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.3 mmmp? -79.96 -64.35 1.21 Allowed 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.1 99.55 10.29 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.03 -18.82 61.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.532 -0.73 . . . . 0.0 109.376 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.2 -38.44 72.06 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 109.45 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.41 51.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 109.246 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -40.3 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 50.3 t0 -60.91 -40.01 91.51 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.083 0.468 . . . . 0.0 110.758 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -66.84 -39.4 87.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.977 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.41 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 82.4 mt -59.94 -49.15 85.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.335 -0.853 . . . . 0.0 109.04 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttm -59.92 -28.34 67.52 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.822 -0.548 . . . . 0.0 109.698 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.31 -39.17 92.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.952 . . . . 0.0 110.249 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.66 -40.06 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.832 -1.167 . . . . 0.0 111.515 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.531 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 2.2 mp -78.54 -21.86 48.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.421 -1.424 . . . . 0.0 110.033 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -86.81 -29.83 21.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.657 -1.277 . . . . 0.0 109.383 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -82.41 -28.46 31.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.565 -0.709 . . . . 0.0 109.137 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' B' ' 66' ' ' ASP . 17.9 m120 -143.05 39.07 1.45 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.532 -0.73 . . . . 0.0 109.504 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -46.58 -18.8 0.39 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.1 m-20 -89.58 0.92 56.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.174 . . . . 0.0 109.632 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.18 -157.49 2.57 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -145.62 152.44 39.67 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.669 -0.9 . . . . 0.0 109.799 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -136.88 150.56 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.443 -0.785 . . . . 0.0 109.103 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.454 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 5.4 m-20 -120.56 -158.27 0.74 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.3 -0.875 . . . . 0.0 110.624 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.671 -0.643 . . . . 0.0 111.703 -177.587 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.655 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.03 -27.91 65.05 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.566 -1.334 . . . . 0.0 109.435 -179.438 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 48.4 mp0 -78.46 -40.04 36.76 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.428 -0.795 . . . . 0.0 109.554 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -39.06 88.12 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.94 -42.8 46.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 O-C-N 121.714 -0.617 . . . . 0.0 111.508 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.451 HG13 HG23 ' A' ' 76' ' ' VAL . 54.5 t -70.01 -40.37 78.46 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.252 -0.905 . . . . 0.0 110.602 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -71.3 -40.08 71.07 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.656 -0.652 . . . . 0.0 110.469 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.09 -39.88 77.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.179 -0.951 . . . . 0.0 109.333 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.86 94.13 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.45 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.49 -39.84 89.15 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.578 0.704 . . . . 0.0 109.233 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.75 -40.98 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.586 -1.321 . . . . 0.0 109.767 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.56 ' O ' ' N ' ' B' ' 86' ' ' ASN . 95.0 m -61.81 -39.99 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 110.308 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.563 ' N ' ' HZ ' ' A' ' 71' ' ' PHE . 2.4 p -50.39 -32.55 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.808 -1.182 . . . . 0.0 108.084 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.19 -22.65 61.24 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.969 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 83.4 m -131.02 21.26 4.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' B' ' 82' ' ' THR . 47.8 t30 . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.016 -1.053 . . . . 0.0 109.653 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.458 ' CG ' HG21 ' B' ' 14' ' ' VAL . 53.2 tp10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.169 0.509 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -38.77 92.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 110.948 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.539 -1.351 . . . . 0.0 109.48 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -62.77 -40.11 96.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.276 -0.89 . . . . 0.0 111.116 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.43 68.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.009 -1.057 . . . . 0.0 111.358 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ttt -61.35 -38.44 86.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.954 -1.091 . . . . 0.0 109.982 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.384 -1.447 . . . . 0.0 107.791 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -63.17 -36.5 83.83 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 8.6 mp -59.84 -40.03 87.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.494 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.12 -42.26 89.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.867 -1.146 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.89 -40.01 91.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.164 -0.96 . . . . 0.0 111.089 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 t -69.43 -36.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.903 -1.123 . . . . 0.0 110.67 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.9 m-30 -52.08 -39.95 60.49 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 20' ' ' GLY . 68.0 t60 -61.97 -31.64 72.01 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.427 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.74 -57.57 9.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.676 -1.265 . . . . 0.0 109.236 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.02 -43.23 24.71 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.953 -1.092 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -75.28 -20.19 59.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.912 -1.118 . . . . 0.0 111.019 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.257 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.204 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -55.74 153.99 7.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 108.987 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 26' ' ' TYR . 48.1 tptt -49.83 -93.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.121 -0.987 . . . . 0.0 108.949 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.46 -177.14 0.18 Allowed 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.023 -1.048 . . . . 0.0 110.455 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -54.53 145.03 19.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.45 -1.406 . . . . 0.0 110.858 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.66 -41.34 73.5 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.365 -0.834 . . . . 0.0 111.043 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.141 -1.599 . . . . 0.0 110.984 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -73.84 -26.04 60.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.841 -1.162 . . . . 0.0 109.37 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -59.95 -40.04 87.65 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.941 -1.1 . . . . 0.0 109.454 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.477 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -76.07 -48.38 21.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.044 -1.035 . . . . 0.0 111.894 -178.48 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.55 -38.19 86.55 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 120.144 -1.598 . . . . 0.0 109.269 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.32 -55.69 19.56 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.505 -0.747 . . . . 0.0 111.265 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.03 -39.97 75.45 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.614 -1.304 . . . . 0.0 111.924 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -58.32 -28.3 64.93 Favored 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.843 -1.161 . . . . 0.0 108.296 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.29 -40.02 52.68 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.83 0.824 . . . . 0.0 108.994 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -79.82 -9.75 59.7 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.411 0.624 . . . . 0.0 109.326 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -113.66 28.8 8.48 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -60.05 -40.38 89.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.582 -0.699 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -66.37 -28.25 68.5 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 108.775 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.84 -39.99 79.67 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.31 -7.73 4.78 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 43.5 t0 -49.21 -32.09 9.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 0.0 108.824 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.79 93.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.981 -1.074 . . . . 0.0 110.113 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.33 108.74 3.33 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.401 -0.812 . . . . 0.0 108.943 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 84' ' ' ALA . 66.1 mmtt -80.13 -69.51 0.59 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.695 -0.628 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -99.96 100.78 11.72 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.165 -0.96 . . . . 0.0 110.222 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.37 -24.75 63.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 109.183 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -63.7 -40.07 95.88 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.474 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.71 -51.65 67.53 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.507 ' O ' ' SD ' ' A' ' 58' ' ' MET . 51.2 t -51.3 -37.51 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -62.13 -40.02 94.51 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.356 0.598 . . . . 0.0 109.821 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -63.74 -42.21 97.91 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.911 0.862 . . . . 0.0 109.466 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.04 -43.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.705 -0.622 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.79 -29.49 69.47 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.11 -46.65 88.91 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 110.235 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.67 -40.18 96.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.016 -1.052 . . . . 0.0 111.153 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.63 -24.83 67.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.919 -1.113 . . . . 0.0 108.032 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.81 -29.17 32.77 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.1 88.16 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -173.18 76.99 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.137 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.18 -25.83 11.8 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 67' ' ' GLY . 35.0 p-10 -89.42 0.94 56.48 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.658 -0.907 . . . . 0.0 109.094 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -61.98 -150.72 0.02 OUTLIER Glycine 0 N--CA 1.479 1.525 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.1 158.86 44.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.166 -1.196 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.39 158.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 29.2 t0 -128.55 -157.46 0.82 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.442 -0.786 . . . . 0.0 109.985 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.1 p90 -60.0 -44.74 94.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 112.853 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.647 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.1 tt0 -78.01 -26.26 48.41 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.522 -1.362 . . . . 0.0 109.565 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.0 mt-10 -80.31 -40.0 27.63 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 118.916 -1.113 . . . . 0.0 110.346 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -77.4 -35.83 53.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.907 -1.121 . . . . 0.0 108.542 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 71' ' ' PHE . 70.1 t -71.02 -40.67 76.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.147 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.24 -39.93 77.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 109.88 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.8 -37.82 82.5 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.707 -0.62 . . . . 0.0 110.219 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.0 t -69.32 -39.89 79.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.398 -0.814 . . . . 0.0 109.117 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.84 87.42 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.93 88.27 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.9 tt -63.6 -34.78 78.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.938 -1.101 . . . . 0.0 108.898 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.4 m -59.97 -33.94 72.62 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.812 -1.18 . . . . 0.0 108.687 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG2' ' OE1' ' B' ' 72' ' ' GLN . 0.3 OUTLIER -59.98 -38.54 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.3 -20.98 63.89 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -141.89 60.19 1.47 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.9 p30 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.508 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.119 0.485 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.43 -38.7 91.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.992 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.398 -1.439 . . . . 0.0 109.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -62.75 -40.02 95.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 111.076 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.07 -46.8 66.91 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.983 -1.073 . . . . 0.0 111.177 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttt -60.94 -38.66 86.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 0.0 110.024 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.72 -40.05 86.7 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.482 -1.387 . . . . 0.0 107.783 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.39 -36.27 83.15 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 8.6 mp -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 0.0 109.494 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.419 HG23 HD12 ' B' ' 12' ' ' ILE . 96.6 mt -60.06 -42.23 89.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.92 -1.113 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.9 -40.09 91.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -0.909 . . . . 0.0 111.073 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.458 HG21 ' CG ' ' A' ' 3' ' ' GLU . 15.4 t -69.48 -36.44 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.847 -1.158 . . . . 0.0 110.76 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.8 m-30 -51.97 -39.97 60.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' B' ' 20' ' ' GLY . 67.8 t60 -62.09 -31.6 72.05 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.424 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.78 -57.55 9.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.709 -1.244 . . . . 0.0 109.175 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.14 -43.08 24.75 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.947 -1.095 . . . . 0.0 110.614 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -75.23 -20.15 59.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.884 -1.135 . . . . 0.0 111.046 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.13 0 C-N-CA 119.626 -1.274 . . . . 0.0 110.109 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -55.9 153.71 8.25 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 109.034 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 26' ' ' TYR . 47.7 tptt -49.49 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.052 -1.03 . . . . 0.0 108.85 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.409 ' O ' ' CG2' ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.28 -177.15 0.17 Allowed 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.958 -1.089 . . . . 0.0 110.434 179.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -54.43 144.96 19.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.416 -1.427 . . . . 0.0 110.831 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -55.56 -41.46 73.32 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.408 -0.807 . . . . 0.0 111.041 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 65' ' ' GLY . 44.6 tptt -59.97 -48.39 81.9 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.095 -1.628 . . . . 0.0 111.027 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -73.89 -25.89 60.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.81 -1.181 . . . . 0.0 109.337 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 0.0 109.679 179.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.467 ' N ' ' CD2' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -76.3 -48.28 20.66 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.987 -1.071 . . . . 0.0 111.893 -178.504 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 -37.66 84.77 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.2 -1.562 . . . . 0.0 109.282 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.91 -55.59 18.38 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.459 -0.776 . . . . 0.0 111.254 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.0 -39.92 75.6 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.568 -1.333 . . . . 0.0 111.966 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -58.34 -28.28 64.94 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.944 -1.097 . . . . 0.0 108.381 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.1 m -76.26 -40.0 52.93 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.843 0.83 . . . . 0.0 109.028 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -79.87 -9.75 59.7 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.76 29.23 8.15 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.148 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 82.9 p -66.1 -28.79 69.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 108.708 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -68.4 -39.97 81.47 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.49 -7.65 4.93 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 43.4 t0 -49.24 -32.07 9.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 108.765 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.79 92.69 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.971 -1.08 . . . . 0.0 110.284 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -67.87 108.38 2.99 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.287 -0.883 . . . . 0.0 109.185 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' O ' ' B' ' 84' ' ' ALA . 65.9 mmtt -80.04 -69.66 0.57 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -100.04 101.02 11.98 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.056 -1.027 . . . . 0.0 110.129 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -24.57 62.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 109.065 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.94 -40.02 95.49 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.54 -51.66 67.66 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.505 ' O ' ' SD ' ' B' ' 58' ' ' MET . 52.9 t -51.46 -36.97 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.66 -39.93 95.47 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.255 0.55 . . . . 0.0 109.685 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.68 -42.46 98.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.967 0.889 . . . . 0.0 109.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.46 -44.18 95.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.612 -0.68 . . . . 0.0 110.727 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.68 -29.77 69.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.179 -0.95 . . . . 0.0 109.164 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.58 -40.17 96.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.97 -1.081 . . . . 0.0 111.218 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.64 -24.92 67.15 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -81.74 -29.07 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.06 -40.0 87.92 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -173.34 76.55 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.262 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -50.91 -26.11 10.69 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.364 -1.895 . . . . 0.0 108.364 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 67' ' ' GLY . 34.8 p-10 -88.94 0.77 56.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.7 -0.883 . . . . 0.0 109.077 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -61.88 -150.46 0.02 OUTLIER Glycine 0 N--CA 1.48 1.601 0 N-CA-C 107.958 -2.057 . . . . 0.0 107.958 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.39 159.18 43.99 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.044 -1.268 . . . . 0.0 110.917 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' B' ' 28' ' ' LEU . 2.9 m -143.67 158.39 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 27.8 t0 -128.63 -157.79 0.84 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.431 -0.793 . . . . 0.0 109.922 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.651 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.7 p90 -60.03 -44.39 94.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.774 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.651 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.9 tt0 -78.09 -26.18 47.97 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.535 -1.353 . . . . 0.0 109.614 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.502 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -80.54 -39.9 26.95 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.262 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -77.71 -35.41 52.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.889 -1.132 . . . . 0.0 108.419 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' B' ' 71' ' ' PHE . 68.9 t -71.1 -40.86 75.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.132 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.9 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.419 -0.8 . . . . 0.0 109.921 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.05 -37.9 81.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.384 0.612 . . . . 0.0 110.195 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.06 -39.94 80.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 109.229 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.34 88.87 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.43 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.9 tt -63.26 -34.7 78.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.898 -1.126 . . . . 0.0 108.94 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -60.04 -34.12 72.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.664 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.575 ' CG2' ' OE1' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -59.99 -38.55 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.33 -20.87 63.87 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 0.5 OUTLIER -141.96 60.23 1.47 Allowed 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.715 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 p30 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.539 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.404 ' OE1' ' HB1' ' B' ' 17' ' ' ALA . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.968 0.413 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.58 ' CD1' HG13 ' B' ' 14' ' ' VAL . 3.7 mm? -74.88 -44.75 47.18 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.886 -1.134 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.62 -41.35 94.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.063 -1.023 . . . . 0.0 110.044 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.0 m -60.25 -40.37 90.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 0.0 110.363 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.13 96.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.3 -0.875 . . . . 0.0 109.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -62.05 -40.93 97.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.815 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.57 -40.14 90.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.346 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.8 m -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.396 -0.815 . . . . 0.0 110.575 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.261 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 12' ' ' ILE . 82.0 mt -60.07 -40.83 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.814 -1.179 . . . . 0.0 108.946 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.39 -31.51 72.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 0.0 110.079 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' B' ' 4' ' ' LEU . 62.7 t -59.93 -49.63 83.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.654 -1.279 . . . . 0.0 110.447 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.7 m-85 -57.31 -24.44 55.04 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.03 -40.08 88.13 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.584 0.707 . . . . 0.0 109.493 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.45 -59.08 3.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.341 -0.849 . . . . 0.0 112.209 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.29 -63.03 1.37 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.73 -1.231 . . . . 0.0 111.899 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.6 m -72.64 -13.13 61.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.347 -0.846 . . . . 0.0 111.639 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' PHE . . . . . . . . 0 N--CA 1.489 2.221 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.512 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 27' ' ' LYS . 7.1 m-85 -52.58 171.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' TYR . 17.7 tptp -51.88 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.389 -1.444 . . . . 0.0 108.434 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.55 -178.53 0.21 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.722 -1.236 . . . . 0.0 110.257 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.524 ' HG ' ' H ' ' A' ' 32' ' ' GLU . 54.1 p -47.7 144.66 3.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.948 -1.095 . . . . 0.0 109.324 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 10.3 mtmm -60.06 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.979 -1.075 . . . . 0.0 109.988 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -55.19 -41.3 71.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.126 . . . . 0.0 110.877 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.524 ' H ' ' HG ' ' A' ' 29' ' ' SER . 55.7 tp10 -72.14 -34.93 68.91 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.927 -1.108 . . . . 0.0 109.12 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -60.09 -44.67 94.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.0 . . . . 0.0 110.714 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HZ2' ' CD1' ' A' ' 81' ' ' LEU . 3.6 tptp -69.91 -39.9 75.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.064 -1.648 . . . . 0.0 111.103 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -63.99 -39.85 95.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.649 -1.282 . . . . 0.0 109.573 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -68.13 -56.55 8.38 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.871 -0.518 . . . . 0.0 111.868 -177.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.66 -39.94 64.07 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.482 -1.386 . . . . 0.0 112.174 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -53.43 -30.79 42.24 Favored 'General case' 0 C--N 1.287 -2.138 0 O-C-N 121.077 -1.015 . . . . 0.0 108.301 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -74.66 -41.0 61.11 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.721 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -73.45 -30.73 63.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 108.805 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.2 mt -95.82 27.62 3.44 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.709 0.766 . . . . 0.0 108.983 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.83 -40.01 87.02 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.426 -0.796 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 44.2 m -59.79 -27.81 66.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.02 -1.05 . . . . 0.0 109.235 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 29.0 m-85 -63.79 -16.64 61.73 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 117.909 -1.517 . . . . 0.0 107.214 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.99 -4.2 42.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' SER . 92.2 m-20 -59.92 -39.87 86.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.674 -0.641 . . . . 0.0 109.871 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.89 75.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.027 -1.046 . . . . 0.0 110.168 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.18 116.97 8.57 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 84' ' ' ALA . 20.1 mtpt -97.05 -66.66 0.89 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.826 -0.546 . . . . 0.0 110.65 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -94.46 96.09 9.27 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.661 -1.275 . . . . 0.0 109.511 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.82 61.93 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.151 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.4 -40.01 77.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.87 -52.53 42.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.252 -0.905 . . . . 0.0 109.19 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -60.84 -40.17 91.82 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.59 -0.694 . . . . 0.0 109.971 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.21 -38.57 88.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.093 -1.004 . . . . 0.0 109.011 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -59.08 -39.93 79.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.13 -0.981 . . . . 0.0 109.407 178.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.2 -40.02 92.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.173 -0.954 . . . . 0.0 110.847 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.93 -40.57 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.633 -1.292 . . . . 0.0 110.882 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -70.04 -30.22 67.45 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.156 -0.965 . . . . 0.0 111.292 -179.221 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.99 -28.92 16.11 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.962 -1.086 . . . . 0.0 111.434 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.2 -34.01 74.22 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.126 -0.984 . . . . 0.0 108.383 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -159.55 67.82 0.4 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.59 -23.1 54.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 43.2 t0 -80.37 -2.68 46.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -1.099 . . . . 0.0 109.376 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.5 0.18 Allowed Glycine 0 N--CA 1.484 1.878 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -157.72 158.48 35.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -1.13 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.91 147.9 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 5.8 m-20 -121.6 -171.76 2.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.409 -0.807 . . . . 0.0 109.612 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.708 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 37.7 p90 -49.39 -54.18 18.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.668 -0.645 . . . . 0.0 112.026 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.708 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.07 -27.99 65.06 Favored 'General case' 0 C--N 1.289 -2.034 0 O-C-N 120.848 -1.157 . . . . 0.0 109.865 -178.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 47.1 tt0 -81.43 -36.2 29.73 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.394 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -34.98 73.92 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.2 -42.43 51.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 O-C-N 121.576 -0.703 . . . . 0.0 111.172 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.06 -41.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 O-C-N 121.442 -0.786 . . . . 0.0 110.705 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.95 -38.45 76.14 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.631 -0.668 . . . . 0.0 110.421 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.01 -39.9 77.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 108.787 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.89 87.18 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' CD1' ' HZ2' ' A' ' 34' ' ' LYS . 7.1 tt -61.81 -40.04 93.85 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.938 -1.101 . . . . 0.0 109.303 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -60.13 -39.23 85.56 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.245 -0.909 . . . . 0.0 109.724 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.511 ' CG1' ' CB ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -55.24 -33.89 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.978 . . . . 0.0 108.454 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.87 -22.08 63.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.583 -0.698 . . . . 0.0 109.403 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 14.3 t -144.53 62.46 1.33 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.2 p30 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 120.773 -1.204 . . . . 0.0 108.032 179.448 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.561 ' CD1' HG13 ' A' ' 14' ' ' VAL . 3.7 mm? -75.06 -44.79 45.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.843 -1.16 . . . . 0.0 110.053 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.74 -41.42 95.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.932 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -60.17 -40.9 91.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.063 -1.023 . . . . 0.0 110.221 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.99 94.31 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.165 -0.959 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.28 -40.53 96.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.866 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.01 -40.03 92.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.353 -0.842 . . . . 0.0 110.095 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -59.98 -40.1 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.862 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.149 -0.969 . . . . 0.0 109.165 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.01 -40.83 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.858 -1.151 . . . . 0.0 108.992 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -62.56 -31.32 72.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 0.0 110.089 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.58 HG13 ' CD1' ' A' ' 4' ' ' LEU . 57.7 t -60.0 -49.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.662 -1.274 . . . . 0.0 110.397 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 8.3 m-85 -57.57 -24.44 56.23 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 109.584 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' OE1' ' A' ' 3' ' ' GLU . . . -70.26 -59.42 2.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.277 -0.889 . . . . 0.0 112.191 -177.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -86.56 -63.24 1.34 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.756 -1.215 . . . . 0.0 112.01 -178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 69.6 m -72.53 -13.18 61.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 111.742 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 15' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.333 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.444 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' B' ' 27' ' ' LYS . 7.3 m-85 -52.2 171.26 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' B' ' 26' ' ' TYR . 19.1 tptp -52.3 -89.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.362 -1.461 . . . . 0.0 108.414 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 -178.35 0.23 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.687 -1.258 . . . . 0.0 110.445 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.4 p -47.85 144.67 3.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.048 -1.033 . . . . 0.0 109.252 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 10.8 mtmm -59.97 -50.47 73.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.129 -0.982 . . . . 0.0 110.061 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -54.75 -41.29 70.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 110.996 -177.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -72.35 -34.88 68.32 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.846 -1.159 . . . . 0.0 108.939 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.3 tm? -60.04 -44.62 94.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.043 -1.036 . . . . 0.0 110.635 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HZ3' ' CD1' ' B' ' 81' ' ' LEU . 4.0 tptp -69.88 -40.11 75.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.022 -1.674 . . . . 0.0 110.974 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.579 -1.326 . . . . 0.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.33 -56.45 8.52 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.766 -0.583 . . . . 0.0 111.944 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.52 -40.06 64.3 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.481 -1.387 . . . . 0.0 112.078 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -53.38 -30.59 40.58 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.028 -1.045 . . . . 0.0 108.196 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.0 m -74.77 -41.28 60.34 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -73.34 -30.78 63.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.0 108.759 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.3 mt -95.7 27.67 3.37 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.739 0.78 . . . . 0.0 109.005 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -59.87 -40.0 87.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.325 -0.86 . . . . 0.0 110.77 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 44.7 m -59.45 -28.33 66.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.025 -1.047 . . . . 0.0 109.242 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.55 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 29.9 m-85 -63.35 -16.97 62.05 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 118.039 -1.464 . . . . 0.0 107.341 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.85 -4.07 41.76 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' B' ' 43' ' ' SER . 92.2 m-20 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.546 -0.721 . . . . 0.0 109.874 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -146.81 75.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.085 -1.009 . . . . 0.0 110.081 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.76 117.27 9.45 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.9 mtpt -97.26 -66.28 0.91 Allowed 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.854 -0.529 . . . . 0.0 110.684 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -94.58 95.66 8.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.827 -1.171 . . . . 0.0 109.566 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.01 -15.97 62.05 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.13 -39.95 78.58 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.515 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -67.11 -52.33 43.13 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.239 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.34 -35.63 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 52.8 t0 -60.76 -40.05 91.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.974 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.51 -38.41 87.15 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.039 -1.038 . . . . 0.0 109.116 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.11 -39.98 79.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.27 -31.06 69.87 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.123 -0.986 . . . . 0.0 109.405 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.3 -39.99 92.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.211 -0.931 . . . . 0.0 110.959 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.93 -40.56 75.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.67 -1.269 . . . . 0.0 110.783 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -70.02 -30.13 67.35 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.115 -0.99 . . . . 0.0 111.285 -179.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -93.04 -28.89 16.1 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.102 -0.999 . . . . 0.0 111.565 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.27 -33.94 73.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.472 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 41.8 t30 -159.7 67.67 0.39 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.06 -23.54 52.3 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 41.8 t0 -80.19 -3.18 47.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -1.08 . . . . 0.0 109.468 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.408 ' HA3' ' HZ1' ' B' ' 30' ' ' LYS . . . -68.77 -147.07 0.18 Allowed Glycine 0 N--CA 1.483 1.824 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.01 158.27 34.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -1.105 . . . . 0.0 110.8 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 m -129.41 148.15 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.439 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 5.4 m-20 -121.81 -171.59 2.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.318 -0.864 . . . . 0.0 109.485 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 37.9 p90 -49.64 -53.84 21.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.643 -0.661 . . . . 0.0 112.144 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.2 -27.8 64.78 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 120.807 -1.183 . . . . 0.0 110.003 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.439 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 43.9 tt0 -81.66 -36.06 29.21 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.392 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -35.46 74.62 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -73.71 -42.8 54.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 121.613 -0.679 . . . . 0.0 111.256 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.93 -40.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 O-C-N 121.364 -0.835 . . . . 0.0 110.753 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.94 -39.13 76.27 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.605 -0.684 . . . . 0.0 110.34 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.42 -39.87 79.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.26 -0.9 . . . . 0.0 109.003 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.94 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.1 88.02 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.451 ' CD1' ' HZ3' ' B' ' 34' ' ' LYS . 7.0 tt -61.68 -40.01 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.879 -1.138 . . . . 0.0 109.356 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.492 ' H ' ' HG1' ' B' ' 82' ' ' THR . 1.6 m -60.1 -39.39 85.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 109.761 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.515 ' CG1' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -55.06 -33.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 0.0 108.336 -179.835 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.57 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.64 -22.0 63.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.622 -0.674 . . . . 0.0 109.577 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 13.8 t -144.65 62.43 1.32 Allowed 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.4 p30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 120.658 -1.276 . . . . 0.0 108.016 179.455 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.407 0.623 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -72.45 -54.25 9.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.453 -0.779 . . . . 0.0 110.206 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.875 ' OE1' HD21 ' B' ' 41' ' ' LEU . 24.4 tp10 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.028 -1.045 . . . . 0.0 109.947 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.055 -1.028 . . . . 0.0 109.958 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 0.0 110.651 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 tpt -60.1 -42.08 93.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.914 -1.116 . . . . 0.0 110.143 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.047 -1.033 . . . . 0.0 108.482 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.99 -39.52 86.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.643 -0.661 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.94 -39.89 87.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.796 -1.19 . . . . 0.0 109.856 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.09 -44.46 98.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 120.905 -1.122 . . . . 0.0 109.968 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.28 -0.888 . . . . 0.0 111.76 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t -71.76 -37.95 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.536 -1.353 . . . . 0.0 111.146 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.16 -39.43 63.57 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 20' ' ' GLY . 55.4 m-70 -60.05 -36.54 77.53 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.83 -56.65 9.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.794 -1.192 . . . . 0.0 109.132 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.91 -49.9 11.24 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.892 -1.13 . . . . 0.0 110.192 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 m -66.4 -40.04 89.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.219 -0.925 . . . . 0.0 111.156 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.3 m-85 -63.4 158.03 21.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 26' ' ' TYR . 26.3 tptt -49.24 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.656 -1.277 . . . . 0.0 109.461 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 176.45 -176.96 0.13 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.555 -1.34 . . . . 0.0 110.405 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -49.14 147.86 2.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.718 -1.239 . . . . 0.0 109.654 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 3.8 mtmt -59.97 -50.62 73.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.465 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.71 -47.55 63.91 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.157 -1.589 . . . . 0.0 111.099 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -68.14 -39.99 82.53 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.826 -1.171 . . . . 0.0 109.354 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -48.12 -46.57 34.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.848 -1.157 . . . . 0.0 109.213 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -67.2 -39.72 86.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.788 -1.195 . . . . 0.0 110.884 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.787 -1.196 . . . . 0.0 110.294 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.51 -55.88 10.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.117 -0.99 . . . . 0.0 112.112 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.82 72.01 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.504 -1.372 . . . . 0.0 112.003 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.02 -28.7 67.96 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -76.51 -40.0 51.43 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.516 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.68 -16.16 54.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.087 -1.008 . . . . 0.0 109.581 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.906 HD23 ' OE1' ' B' ' 5' ' ' GLU . 15.9 mt -108.33 32.15 5.03 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.1 m -59.96 -39.98 87.46 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.154 -0.967 . . . . 0.0 110.637 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 73.5 m -60.02 -36.97 78.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' HE2' ' OE2' ' B' ' 5' ' ' GLU . 31.6 m-85 -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.701 -1.2 . . . . 0.0 108.421 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.9 mm? -67.64 -3.43 9.01 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 43' ' ' SER . 52.8 t0 -55.86 -39.49 71.55 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 108.778 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.4 87.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.207 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.51 115.37 6.32 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.923 0.868 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 84' ' ' ALA . 21.2 mmmt -79.94 -70.0 0.55 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -100.01 102.82 14.29 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 122.127 0.965 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.93 -13.34 60.52 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.93 -39.98 75.8 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -70.61 -53.8 14.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.922 -1.111 . . . . 0.0 108.574 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t -52.79 -35.69 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.73 -39.97 93.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.658 . . . . 0.0 109.416 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -41.36 99.14 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.067 0.937 . . . . 0.0 109.342 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.08 -42.7 90.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.752 . . . . 0.0 109.876 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 mmt -60.82 -23.67 65.26 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.113 -0.992 . . . . 0.0 109.199 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.52 -41.72 88.36 Favored 'General case' 0 C--O 1.198 -1.649 0 O-C-N 121.336 -0.852 . . . . 0.0 111.19 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 52.6 mp0 -69.51 -42.28 74.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.218 -1.551 . . . . 0.0 110.468 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -61.6 -39.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.564 -0.71 . . . . 0.0 110.241 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.35 -33.59 37.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.896 -1.128 . . . . 0.0 110.386 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.03 -40.07 88.06 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -152.05 61.41 0.85 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -51.46 -31.31 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.156 -1.577 . . . . 0.0 109.156 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.87 0.04 56.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -1.085 . . . . 0.0 108.948 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.45 -149.16 0.05 OUTLIER Glycine 0 N--CA 1.481 1.674 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.24 155.85 39.65 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -1.046 . . . . 0.0 109.997 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.36 156.84 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 36.9 p-10 -127.12 -159.11 0.91 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.459 -0.776 . . . . 0.0 109.69 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 28.5 p90 -59.93 -47.6 85.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.638 -0.664 . . . . 0.0 112.053 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.698 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 1.7 tm0? -70.05 -28.3 65.34 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.418 -1.426 . . . . 0.0 109.583 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 60.9 mm-40 -77.96 -40.93 37.83 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.558 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.6 t80 -68.33 -38.45 81.53 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.355 -0.84 . . . . 0.0 108.759 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.27 -41.76 74.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.01 -39.99 78.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.166 -0.959 . . . . 0.0 110.767 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.32 -32.76 66.83 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.112 -0.992 . . . . 0.0 109.801 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 53.7 t -69.68 -40.83 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -0.887 . . . . 0.0 109.546 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.82 92.56 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.3 -39.98 94.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.777 -1.202 . . . . 0.0 109.125 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.565 ' HG1' ' CE ' ' B' ' 8' ' ' MET . 45.1 m -59.97 -38.81 83.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.597 -0.689 . . . . 0.0 109.912 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' CB ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -58.56 -38.11 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 109.211 -178.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.63 -22.18 60.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 110.44 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 91.9 m -125.11 21.21 8.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.922 . . . . 0.0 108.606 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 82' ' ' THR . 21.2 p-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.392 -0.817 . . . . 0.0 109.975 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.487 0.66 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 3.9 tp -72.68 -53.98 10.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.46 -0.775 . . . . 0.0 110.204 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.906 ' OE1' HD23 ' A' ' 41' ' ' LEU . 24.4 tp10 -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 109.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -40.01 87.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.118 -0.989 . . . . 0.0 110.044 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.1 92.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.03 -1.044 . . . . 0.0 110.715 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.565 ' CE ' ' HG1' ' A' ' 82' ' ' THR . 4.6 tpt -60.51 -41.88 95.29 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.183 -0.948 . . . . 0.0 108.558 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.05 -39.29 85.47 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.739 -0.601 . . . . 0.0 110.322 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 109.855 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.91 -44.52 98.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.006 -1.059 . . . . 0.0 109.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.35 -41.12 92.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.791 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.75 -37.87 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.586 -1.321 . . . . 0.0 111.234 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.15 -39.51 63.59 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 20' ' ' GLY . 55.6 m-70 -59.94 -36.59 77.39 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.58 9.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.703 -1.248 . . . . 0.0 109.183 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -79.93 -50.03 11.04 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.823 -1.173 . . . . 0.0 110.16 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.3 m -66.43 -39.98 89.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.227 -0.921 . . . . 0.0 111.16 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.449 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' B' ' 27' ' ' LYS . 93.1 m-85 -63.57 158.23 21.71 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 26' ' ' TYR . 27.0 tptt -49.37 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.632 -1.292 . . . . 0.0 109.472 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 176.63 -176.88 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.598 -1.313 . . . . 0.0 110.416 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -49.34 147.89 2.95 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.759 -1.213 . . . . 0.0 109.678 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 4.0 mtmt -60.03 -50.38 73.96 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.071 -1.018 . . . . 0.0 111.525 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -51.84 -47.52 64.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.048 -1.658 . . . . 0.0 111.114 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -68.19 -40.01 82.31 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 109.327 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tp -48.0 -46.76 33.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.849 -1.157 . . . . 0.0 109.263 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -67.16 -39.76 86.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 110.832 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -38.42 82.43 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.809 -1.182 . . . . 0.0 110.256 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.79 -55.74 10.27 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 111.947 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -40.79 71.93 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.337 -1.477 . . . . 0.0 112.008 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.93 -28.86 67.98 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 m -76.28 -40.08 52.59 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.524 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.59 -16.32 54.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.093 -1.004 . . . . 0.0 109.559 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.875 HD21 ' OE1' ' A' ' 5' ' ' GLU . 15.5 mt -108.2 32.11 5.04 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.1 m -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.8 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 75.3 m -59.94 -36.91 78.08 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.577 ' HE2' ' OE2' ' A' ' 5' ' ' GLU . 31.7 m-85 -59.96 -40.01 87.58 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.43 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.7 mm? -67.85 -3.38 9.46 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' B' ' 43' ' ' SER . 52.9 t0 -55.82 -39.65 71.68 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.221 -0.924 . . . . 0.0 108.788 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.09 87.55 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.234 -0.916 . . . . 0.0 109.176 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.84 115.36 6.53 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.001 0.905 . . . . 0.0 109.368 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.1 mmmt -80.01 -70.04 0.55 Allowed 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -99.96 102.98 14.51 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 122.088 0.947 . . . . 0.0 109.436 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.1 -13.28 60.46 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.45 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -70.94 -53.5 14.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.882 -1.136 . . . . 0.0 108.452 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 t -52.89 -35.5 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.83 -40.0 93.76 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.695 -0.628 . . . . 0.0 109.478 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -41.26 99.19 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.163 -0.96 . . . . 0.0 109.359 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.1 mt -59.94 -43.03 91.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.0 mmt -60.51 -23.8 64.82 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.126 -0.984 . . . . 0.0 109.284 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -66.61 -41.56 88.23 Favored 'General case' 0 C--O 1.2 -1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 111.129 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 60' ' ' GLU . 52.2 mp0 -69.51 -42.38 74.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.173 -1.579 . . . . 0.0 110.476 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -61.44 -39.79 92.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.536 -0.728 . . . . 0.0 110.291 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.38 -33.56 37.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.8 -1.187 . . . . 0.0 110.408 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.06 -39.96 87.82 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -152.09 61.33 0.84 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -51.45 -31.17 28.06 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -87.89 -0.02 56.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -1.079 . . . . 0.0 108.996 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.51 -149.03 0.05 OUTLIER Glycine 0 N--CA 1.48 1.631 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -151.49 155.91 39.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -1.054 . . . . 0.0 109.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.3 156.93 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.511 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 37.0 p-10 -127.02 -159.05 0.91 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.462 -0.774 . . . . 0.0 109.685 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.693 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 28.5 p90 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.685 -0.634 . . . . 0.0 111.928 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.693 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 1.7 tm0? -69.91 -28.25 65.45 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.44 -1.412 . . . . 0.0 109.654 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.511 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 60.7 mm-40 -77.96 -40.78 38.28 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.608 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 1.8 t80 -68.42 -38.33 81.11 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.24 -42.02 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.389 -0.82 . . . . 0.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.0 77.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 O-C-N 121.203 -0.936 . . . . 0.0 110.68 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.26 -32.79 66.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.088 -1.008 . . . . 0.0 109.781 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 53.3 t -69.84 -40.3 78.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.565 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.59 91.59 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.02 87.57 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.19 -40.1 94.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 86' ' ' ASN . 48.0 m -60.0 -38.96 84.17 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.678 -0.639 . . . . 0.0 109.839 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.45 ' CG1' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -58.38 -38.05 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.147 -0.97 . . . . 0.0 109.284 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.79 -22.24 60.86 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 110.467 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 89.8 m -124.98 21.28 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 108.528 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' B' ' 82' ' ' THR . 21.6 p-10 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.442 -0.786 . . . . 0.0 110.017 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.39 0.614 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.653 ' HG ' ' CG1' ' B' ' 14' ' ' VAL . 59.3 mt -66.9 -39.91 87.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.382 -0.824 . . . . 0.0 109.795 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 0.0 109.908 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.16 -39.99 88.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.16 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.691 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.24 -40.82 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.039 -1.038 . . . . 0.0 110.431 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.114 -0.991 . . . . 0.0 109.427 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -67.2 -40.0 86.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.436 -0.79 . . . . 0.0 110.558 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 99.7 mt -60.18 -40.09 88.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.93 -42.68 97.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.856 -1.152 . . . . 0.0 109.982 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.51 -42.35 98.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.19 -0.943 . . . . 0.0 111.822 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.628 ' CG1' ' HG ' ' B' ' 4' ' ' LEU . 25.1 t -70.79 -35.76 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.756 -1.215 . . . . 0.0 111.265 -178.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 6.7 m-30 -59.25 -37.41 77.52 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.8 t60 -60.01 -39.92 87.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.832 -0.542 . . . . 0.0 109.799 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.48 10.2 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.899 -1.125 . . . . 0.0 109.865 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -74.74 -40.03 61.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.703 -1.248 . . . . 0.0 110.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -69.33 -39.66 78.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.16 -0.962 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mptt . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.94 169.55 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.92 -1.112 . . . . 0.0 108.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' NZ ' ' CD2' ' A' ' 36' ' ' LEU . 13.1 tptt -52.99 -85.36 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.731 -1.23 . . . . 0.0 108.453 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.26 -175.14 0.14 Allowed 'General case' 0 N--CA 1.512 2.635 0 O-C-N 121.095 -1.003 . . . . 0.0 110.751 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -56.71 148.54 19.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.982 -1.073 . . . . 0.0 110.903 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.696 ' HZ2' HD21 ' A' ' 64' ' ' ASN . 1.5 mmmm -60.0 -41.66 92.56 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.869 -0.519 . . . . 0.0 111.687 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -60.93 -54.45 44.92 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 119.611 -1.931 . . . . 0.0 110.268 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' LEU . 51.2 tp10 -64.34 -40.0 95.0 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.281 -0.967 . . . . 0.0 108.718 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' GLU . 53.9 tp -44.98 -44.62 10.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.967 -1.083 . . . . 0.0 108.253 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HZ2' HD21 ' A' ' 81' ' ' LEU . 15.6 tptt -60.01 -39.7 86.73 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 120.057 -0.657 . . . . 0.0 109.852 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.03 -34.68 73.71 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.744 -1.223 . . . . 0.0 108.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CD2' ' NZ ' ' A' ' 27' ' ' LYS . 9.9 mp -69.99 -56.39 7.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 110.845 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.94 -49.21 78.57 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.872 -1.142 . . . . 0.0 110.682 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.0 -21.33 44.31 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-O 121.443 0.64 . . . . 0.0 109.374 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.99 -32.68 15.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -81.97 -6.17 58.91 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.839 -1.163 . . . . 0.0 109.907 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 27.4 mt -115.15 48.63 1.14 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.988 -1.07 . . . . 0.0 108.3 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 22.6 t -53.36 -40.09 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.056 -1.027 . . . . 0.0 109.927 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.523 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 78.7 p -60.04 -13.06 9.72 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.687 -1.258 . . . . 0.0 108.066 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 80.3 t80 -47.13 -54.01 11.54 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 120.863 -1.148 . . . . 0.0 110.189 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -65.27 -6.05 8.71 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.888 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 4.5 p-10 -60.76 -41.12 94.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.603 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 17.2 m -161.63 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.79 118.26 9.39 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.204 -1.56 . . . . 0.0 108.209 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 84' ' ' ALA . 3.7 mtmp? -89.14 -72.62 0.54 Allowed 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.744 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.04 91.14 7.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.074 -1.016 . . . . 0.0 109.644 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -16.93 63.35 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.94 -40.06 75.71 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.48 54.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.13 -36.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.1 -39.97 88.03 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.536 -0.727 . . . . 0.0 109.875 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.22 -39.99 89.97 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.918 0.866 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.03 -43.24 95.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.84 -0.537 . . . . 0.0 111.279 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 ttm -66.84 -26.1 66.75 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.093 -1.005 . . . . 0.0 109.056 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -63.28 -40.0 96.17 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.409 -0.807 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.42 -39.92 74.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.711 -1.243 . . . . 0.0 110.539 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 11.8 mt -69.13 -23.97 64.04 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.54 -0.725 . . . . 0.0 109.413 -178.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.74 -36.21 16.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.896 -1.128 . . . . 0.0 109.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.515 0.674 . . . . 0.0 109.475 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.696 HD21 ' HZ2' ' A' ' 30' ' ' LYS . 56.3 t30 -127.83 29.1 5.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.7 -28.71 16.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -86.98 0.14 55.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -1.057 . . . . 0.0 109.795 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.8 -158.27 8.64 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.36 165.23 28.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.63 -0.923 . . . . 0.0 109.819 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.15 155.86 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.527 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 10.9 p-10 -129.1 -158.05 0.86 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.8 p90 -59.99 -44.03 94.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.439 -0.788 . . . . 0.0 111.865 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.739 ' NE2' ' HB ' ' B' ' 83' ' ' VAL . 37.1 tt0 -70.61 -29.01 65.28 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.178 -1.576 . . . . 0.0 109.245 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 75.8 mm-40 -81.7 -40.06 23.34 Favored 'General case' 0 C--N 1.284 -2.239 0 C-N-CA 119.664 -0.815 . . . . 0.0 109.665 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 8.1 t80 -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.819 0.819 . . . . 0.0 108.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.38 -42.53 50.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.239 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' A' ' 72' ' ' GLN . 85.9 t -70.86 -40.03 76.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.261 -0.9 . . . . 0.0 110.611 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.38 -34.91 65.81 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.428 -0.795 . . . . 0.0 110.113 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 77.9 t -70.06 -39.98 77.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 109.074 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.36 90.83 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.446 ' HA ' HE21 ' B' ' 72' ' ' GLN . . . -60.09 -39.99 88.05 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD21 ' HZ2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -60.41 -43.09 97.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.048 -1.032 . . . . 0.0 108.812 179.523 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -60.02 -34.25 73.11 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.84 -1.163 . . . . 0.0 110.047 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.737 ' HB ' ' NE2' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -53.52 -38.18 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.862 -1.149 . . . . 0.0 108.208 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.99 -22.67 63.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.5 t -137.92 58.37 1.69 Allowed 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.557 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 63.2 t30 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 14' ' ' VAL . 48.5 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.347 0.594 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.628 ' HG ' ' CG1' ' A' ' 14' ' ' VAL . 63.2 mt -66.95 -39.92 87.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.408 -0.807 . . . . 0.0 109.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.0 -40.08 88.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.199 -0.938 . . . . 0.0 110.051 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 110.24 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.17 92.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.272 -0.892 . . . . 0.0 110.707 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.31 -40.72 95.26 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.114 -0.991 . . . . 0.0 110.292 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -39.99 87.87 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.099 -1.0 . . . . 0.0 109.454 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -67.48 -39.95 85.24 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.368 -0.832 . . . . 0.0 110.405 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 98.6 mt -60.08 -40.07 88.28 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.848 -1.157 . . . . 0.0 110.835 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -62.86 -42.59 97.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.87 -1.144 . . . . 0.0 109.982 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.61 -42.31 98.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.235 -0.915 . . . . 0.0 111.861 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.653 ' CG1' ' HG ' ' A' ' 4' ' ' LEU . 29.0 t -70.84 -35.78 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.693 -1.254 . . . . 0.0 111.2 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.447 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 6.7 m-30 -59.29 -37.4 77.6 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 20' ' ' GLY . 85.8 t60 -60.02 -40.02 87.87 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.195 0.521 . . . . 0.0 109.718 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.28 10.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.9 -1.125 . . . . 0.0 109.861 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.86 -40.02 61.23 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.709 -1.244 . . . . 0.0 110.154 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 12.0 m -69.68 -39.13 77.17 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.03 . . . . 0.0 110.238 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -49.91 169.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.928 -1.108 . . . . 0.0 108.459 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.516 ' HZ1' ' CD2' ' B' ' 36' ' ' LEU . 13.5 tptt -53.02 -85.45 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.786 -1.196 . . . . 0.0 108.41 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.35 -175.03 0.14 Allowed 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.94 -1.1 . . . . 0.0 110.769 178.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.5 p -56.58 148.48 19.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.015 -1.053 . . . . 0.0 110.974 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.67 ' HZ2' ' ND2' ' B' ' 64' ' ' ASN . 1.5 mmmm -60.09 -41.4 92.41 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.796 -0.565 . . . . 0.0 111.781 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -61.09 -54.13 48.5 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.579 -1.95 . . . . 0.0 110.29 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.9 tp10 -64.58 -40.01 94.77 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.669 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' B' ' 32' ' ' GLU . 54.3 tp -45.12 -44.42 10.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.06 -39.82 87.33 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.876 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.01 -34.53 73.46 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.724 -1.235 . . . . 0.0 108.771 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.516 ' CD2' ' HZ1' ' B' ' 27' ' ' LYS . 10.0 mp -70.04 -56.44 6.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.836 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.02 -49.25 78.42 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.936 -1.103 . . . . 0.0 110.654 -178.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -57.95 -21.56 44.7 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 121.439 0.638 . . . . 0.0 109.321 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.8 -32.47 15.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.347 -0.845 . . . . 0.0 110.635 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.15 -6.16 58.98 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.854 -1.154 . . . . 0.0 109.907 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 33.5 mt -115.09 48.32 1.18 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.897 -1.127 . . . . 0.0 108.245 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 26.4 t -53.16 -40.15 64.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.06 -1.025 . . . . 0.0 109.921 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.516 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 79.4 p -60.02 -13.02 9.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.624 -1.298 . . . . 0.0 108.035 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 80.2 t80 -47.1 -54.28 10.84 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.992 -1.068 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' B' ' 42' ' ' SER . 1.1 pt? -65.01 -5.89 7.32 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.994 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 4.6 p-10 -61.12 -40.73 94.87 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.215 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.604 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 16.9 m -161.86 68.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.538 -0.726 . . . . 0.0 110.765 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.536 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -65.8 118.05 9.1 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.15 -1.594 . . . . 0.0 108.205 179.183 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ALA . 3.2 mtmp? -89.24 -71.97 0.58 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.803 -0.561 . . . . 0.0 109.823 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.04 90.95 7.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.005 -1.06 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.96 -40.04 75.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -53.43 54.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.95 -37.0 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.93 -40.04 87.53 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.912 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.27 -40.05 89.85 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.848 0.833 . . . . 0.0 109.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.94 -43.47 95.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.914 -0.491 . . . . 0.0 111.323 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.9 ttm -66.4 -26.63 67.33 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.215 -0.928 . . . . 0.0 109.025 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -63.05 -40.06 96.59 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.428 -0.795 . . . . 0.0 110.715 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.22 -40.01 74.77 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.759 -1.213 . . . . 0.0 110.509 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.483 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 12.9 mt -69.11 -24.02 64.07 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.638 0.733 . . . . 0.0 109.457 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.17 -36.02 15.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.763 -1.211 . . . . 0.0 109.416 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 63' ' ' GLU . 0.3 OUTLIER -82.74 -27.36 31.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.426 0.631 . . . . 0.0 109.411 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.67 ' ND2' ' HZ2' ' B' ' 30' ' ' LYS . 56.1 t30 -127.6 29.24 5.53 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.95 -28.56 17.52 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -86.96 0.33 55.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -1.074 . . . . 0.0 109.857 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -158.26 8.59 Favored Glycine 0 N--CA 1.479 1.556 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.63 164.9 29.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.671 -0.899 . . . . 0.0 109.792 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.91 156.0 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.401 -0.812 . . . . 0.0 109.431 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 10.8 p-10 -129.02 -158.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.02 -43.96 94.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.348 -0.845 . . . . 0.0 111.851 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.737 ' NE2' ' HB ' ' A' ' 83' ' ' VAL . 37.0 tt0 -70.82 -28.71 64.82 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.087 -1.633 . . . . 0.0 109.22 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 76.2 mm-40 -81.92 -40.01 22.93 Favored 'General case' 0 C--N 1.284 -2.262 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.6 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.484 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 8.2 t80 -69.99 -39.62 75.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -74.12 -42.83 51.84 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 O-C-N 121.062 -1.024 . . . . 0.0 111.208 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.1 t -70.68 -40.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 O-C-N 121.241 -0.912 . . . . 0.0 110.672 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.2 tp -73.26 -35.09 66.14 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.355 -0.841 . . . . 0.0 110.184 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 79.6 t -69.97 -40.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.033 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.63 91.88 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.466 ' HA ' HE21 ' A' ' 72' ' ' GLN . . . -59.99 -40.03 87.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -42.99 97.14 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.011 -1.056 . . . . 0.0 108.892 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -60.03 -34.49 73.44 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.822 -1.174 . . . . 0.0 110.036 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.739 ' HB ' ' NE2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -53.33 -38.0 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.794 -1.191 . . . . 0.0 108.14 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -70.06 -22.76 63.04 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.357 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -137.84 58.07 1.7 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.562 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 63.6 t30 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 43.4 mp0 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.07 0.462 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.55 -40.21 70.15 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.935 -1.103 . . . . 0.0 111.866 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.81 -39.93 93.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.491 -1.381 . . . . 0.0 109.943 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -61.55 -40.2 93.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.436 -0.79 . . . . 0.0 111.28 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.15 75.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.076 -1.015 . . . . 0.0 111.042 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.91 -43.55 98.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.849 -1.157 . . . . 0.0 109.853 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.15 -39.72 87.36 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.221 -0.924 . . . . 0.0 109.022 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.576 -0.702 . . . . 0.0 110.066 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -39.94 87.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.968 -1.082 . . . . 0.0 110.497 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.8 -44.54 98.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.823 -1.173 . . . . 0.0 110.142 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 50.8 t-20 -60.13 -41.5 92.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.002 -1.061 . . . . 0.0 111.183 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.63 -37.61 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.771 -1.205 . . . . 0.0 111.032 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.7 m-30 -55.85 -35.97 67.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 65.5 t60 -60.04 -38.2 82.05 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -57.52 9.26 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.614 -1.304 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -80.12 -48.44 13.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.924 -1.11 . . . . 0.0 110.313 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' PHE . 51.9 p -69.9 -35.85 74.94 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.271 -0.893 . . . . 0.0 111.17 -178.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.513 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -53.4 155.12 3.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 47.7 tptt -52.06 -82.77 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.672 -1.267 . . . . 0.0 109.029 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' CG ' ' H ' ' A' ' 29' ' ' SER . 14.8 tp -174.01 -179.33 1.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.262 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' A' ' 28' ' ' LEU . 8.7 t -65.89 150.59 48.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.482 -1.386 . . . . 0.0 110.946 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 13.4 mmtp -54.27 -47.6 72.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.672 -0.643 . . . . 0.0 110.449 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' GLY . 44.7 tptt -60.02 -43.4 95.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.307 -1.495 . . . . 0.0 111.079 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -84.19 -24.66 30.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.598 -1.314 . . . . 0.0 108.561 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -51.37 -51.22 56.52 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -72.58 -33.71 66.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.913 -1.117 . . . . 0.0 111.519 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.88 -40.16 87.73 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.225 -1.547 . . . . 0.0 110.879 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.44 -55.5 6.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 112.981 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.03 -36.39 75.02 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.402 -1.436 . . . . 0.0 111.199 -176.703 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -59.13 -31.56 69.05 Favored 'General case' 0 C--N 1.285 -2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 108.434 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -74.96 -42.36 57.78 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.979 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -31.92 71.99 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.4 mt -98.34 33.75 2.14 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 109.526 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.6 m -59.97 -40.05 87.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 75.7 m -63.7 -30.89 71.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.234 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.8 m-85 -60.04 -38.03 81.56 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -63.02 -3.04 1.44 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.41 -0.806 . . . . 0.0 108.861 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 44' ' ' PHE . 88.5 m-20 -57.56 -40.16 78.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.053 -1.03 . . . . 0.0 108.67 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.0 p -138.21 95.97 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.488 -0.757 . . . . 0.0 110.365 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.76 106.13 2.55 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 108.292 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.0 mmmp? -80.07 -70.26 0.53 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.617 -0.677 . . . . 0.0 109.418 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -102.32 100.55 10.72 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.92 -18.38 60.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.203 -0.935 . . . . 0.0 109.469 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -70.09 -39.94 75.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.62 -0.675 . . . . 0.0 109.447 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.19 -54.79 20.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.894 -1.129 . . . . 0.0 108.377 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.548 ' O ' ' SD ' ' A' ' 58' ' ' MET . 1.2 t -55.54 -34.83 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.97 -40.0 87.55 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.435 -0.791 . . . . 0.0 109.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.72 -40.09 94.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.04 -1.037 . . . . 0.0 109.902 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.4 mp -59.98 -41.32 85.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 108.783 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -62.7 -26.21 68.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.398 -0.813 . . . . 0.0 109.085 179.042 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.02 -40.14 95.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.124 -0.985 . . . . 0.0 110.949 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.54 -40.07 61.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.355 -1.466 . . . . 0.0 110.405 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 9.4 mt -67.91 -26.28 65.91 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.704 -0.622 . . . . 0.0 110.902 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -93.2 -37.83 11.88 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.035 -1.041 . . . . 0.0 110.042 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -30.78 68.11 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.448 -0.782 . . . . 0.0 108.899 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -154.72 67.19 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -62.92 -22.54 64.71 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 51.5 t0 -88.7 5.77 41.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.08 -1.247 . . . . 0.0 109.638 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.14 -151.02 0.13 Allowed Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.47 154.28 36.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.477 -1.013 . . . . 0.0 109.944 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.05 156.44 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.578 -0.701 . . . . 0.0 109.742 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.5 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 44.4 p-10 -125.27 -158.71 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.2 p90 -60.0 -45.38 92.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 112.181 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.674 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.0 tt0 -69.78 -27.79 65.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.313 -1.492 . . . . 0.0 108.943 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 61.3 mm-40 -79.28 -41.89 27.06 Favored 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.194 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 1.7 t80 -69.59 -38.04 77.16 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.347 -0.845 . . . . 0.0 108.81 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.3 t -73.85 -42.37 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.57 -0.706 . . . . 0.0 110.9 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.19 -40.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.156 -0.965 . . . . 0.0 110.794 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.94 -33.91 66.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.0 t -71.93 -40.25 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.031 -1.043 . . . . 0.0 109.813 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.02 92.77 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.708 0.765 . . . . 0.0 109.141 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.75 -40.11 93.96 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.638 -1.289 . . . . 0.0 108.468 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -50.95 -34.98 31.07 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.17 -41.81 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.618 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -70.03 -20.65 63.25 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.839 -0.538 . . . . 0.0 110.138 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 35.1 m -141.27 59.33 1.52 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.535 ' ND2' ' CZ ' ' B' ' 71' ' ' PHE . 29.0 m120 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' B' ' 3' ' ' GLU . 43.1 mp0 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.58 -40.59 69.81 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.888 -1.133 . . . . 0.0 111.773 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.38 -40.08 93.04 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.513 -1.367 . . . . 0.0 109.993 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.7 m -61.86 -40.05 93.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 111.225 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.39 76.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.134 -0.979 . . . . 0.0 111.068 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.5 tpt -61.9 -43.72 98.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.972 -1.08 . . . . 0.0 109.956 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -39.7 86.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -0.882 . . . . 0.0 108.956 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -60.02 -39.93 87.55 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.684 -0.635 . . . . 0.0 110.032 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.91 -40.0 87.35 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.007 -1.058 . . . . 0.0 110.471 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.92 -44.12 98.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 120.656 -1.277 . . . . 0.0 110.177 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 51.3 t-20 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.956 -1.09 . . . . 0.0 111.04 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.05 -38.24 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.756 -1.215 . . . . 0.0 111.083 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.6 -36.04 66.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' B' ' 20' ' ' GLY . 64.2 t60 -59.87 -38.4 82.07 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.81 -57.8 8.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.726 -1.234 . . . . 0.0 109.236 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -79.93 -48.49 13.33 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.835 -1.165 . . . . 0.0 110.224 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.556 ' HG ' ' N ' ' B' ' 20' ' ' GLY . 50.8 p -69.95 -36.04 74.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.332 -0.855 . . . . 0.0 111.217 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.542 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -53.43 155.15 3.03 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.757 -1.215 . . . . 0.0 107.933 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 48.3 tptt -52.25 -82.76 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.067 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -173.92 -179.46 1.73 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.161 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.4 t -65.58 150.6 48.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.453 -1.404 . . . . 0.0 110.991 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' B' ' 61' ' ' LEU . 13.3 mmtp -54.26 -47.59 72.11 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.725 -0.609 . . . . 0.0 110.408 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' B' ' 65' ' ' GLY . 45.1 tptt -59.97 -43.45 95.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.294 -1.504 . . . . 0.0 111.179 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -84.3 -24.45 29.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.584 -1.323 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.61 -51.06 58.62 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -72.8 -33.6 66.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 111.567 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.199 -1.563 . . . . 0.0 110.835 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.56 -55.37 6.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.082 -1.012 . . . . 0.0 112.978 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -69.91 -36.7 75.6 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.369 -1.457 . . . . 0.0 111.34 -176.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -58.87 -31.69 68.79 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.945 -1.097 . . . . 0.0 108.328 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.1 m -74.86 -42.17 58.41 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.057 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -32.23 72.3 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -97.87 33.81 2.03 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.521 -0.737 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.041 -1.037 . . . . 0.0 110.95 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.9 m -63.94 -30.83 71.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 109.322 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 m-85 -59.96 -38.21 81.83 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -62.96 -2.75 1.31 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.481 -0.762 . . . . 0.0 108.971 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' B' ' 44' ' ' PHE . 88.0 m-20 -58.05 -40.01 79.85 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.98 -1.075 . . . . 0.0 108.569 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 4.6 p -138.39 96.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.422 -0.799 . . . . 0.0 110.272 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -68.99 106.29 2.71 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.933 -1.105 . . . . 0.0 108.156 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.1 mmmp? -79.98 -70.74 0.49 Allowed 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.86 100.63 10.97 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -0.912 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.15 60.84 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.481 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -69.99 -39.93 75.62 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.483 0.659 . . . . 0.0 109.53 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -54.56 22.67 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.883 -1.135 . . . . 0.0 108.387 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.539 ' O ' ' SD ' ' B' ' 58' ' ' MET . 1.2 t -55.72 -34.89 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -59.86 -40.04 87.25 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 121.51 -0.744 . . . . 0.0 109.371 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.63 -40.12 94.92 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.047 . . . . 0.0 109.888 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' B' ' 57' ' ' ILE . 1.4 mp -59.91 -41.29 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.89 . . . . 0.0 108.803 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -62.77 -26.12 68.55 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.035 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.0 -40.09 95.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.131 -0.98 . . . . 0.0 110.9 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.82 -40.0 61.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.357 -1.464 . . . . 0.0 110.438 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' B' ' 30' ' ' LYS . 9.4 mt -67.76 -26.64 66.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.655 -0.653 . . . . 0.0 110.886 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -92.92 -37.68 12.11 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.041 -1.037 . . . . 0.0 110.163 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -30.94 68.39 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 108.936 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -154.81 67.18 0.68 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.471 -0.768 . . . . 0.0 109.13 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -62.83 -22.55 64.53 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 49.7 t0 -88.56 5.24 43.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.636 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.55 -151.14 0.1 Allowed Glycine 0 N--CA 1.482 1.719 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.46 154.56 36.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.033 . . . . 0.0 109.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.4 156.69 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 109.714 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.502 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 44.8 p-10 -125.41 -158.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.366 -0.834 . . . . 0.0 112.053 -178.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.678 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 8.5 tt0 -69.55 -28.24 65.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.281 -1.512 . . . . 0.0 108.927 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.502 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 61.0 mm-40 -79.06 -41.52 28.59 Favored 'General case' 0 C--N 1.281 -2.384 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.239 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 1.7 t80 -69.88 -37.76 76.16 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.388 -0.82 . . . . 0.0 108.804 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.43 -41.85 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.462 -0.774 . . . . 0.0 110.975 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.7 t -70.75 -40.05 76.35 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 O-C-N 121.264 -0.898 . . . . 0.0 110.884 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -73.4 -33.98 65.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.056 -1.027 . . . . 0.0 110.104 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.8 -40.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.109 -0.995 . . . . 0.0 109.799 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.15 84.7 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.72 0.771 . . . . 0.0 109.111 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.74 -39.92 93.27 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.571 -1.331 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -51.34 -34.7 34.95 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.408 HG22 ' NE2' ' A' ' 72' ' ' GLN . 54.5 t -60.15 -42.37 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.332 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 34.8 m -141.26 59.24 1.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 28.8 m120 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.811 0.339 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.435 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 3.7 mp -70.23 -42.07 72.72 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -61.74 -40.2 94.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.056 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -40.04 88.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.316 -0.865 . . . . 0.0 109.246 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.11 85.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.577 -0.702 . . . . 0.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.95 -1.094 . . . . 0.0 110.271 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.06 -40.31 89.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.978 -1.076 . . . . 0.0 110.373 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -62.15 -40.05 94.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 110.663 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 93.7 mt -59.98 -39.73 86.69 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.044 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.18 -43.92 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.914 -1.117 . . . . 0.0 110.219 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.06 -40.07 88.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.996 -1.065 . . . . 0.0 110.939 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 t -69.24 -31.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 120.273 -1.517 . . . . 0.0 110.413 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.8 m-30 -54.61 -37.74 65.94 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 30.9 m-70 -59.46 -33.39 71.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.06 -56.44 16.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.881 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.06 -0.21 42.34 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 120.846 -1.159 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.3 m -135.62 -2.92 2.38 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.801 -1.187 . . . . 0.0 110.658 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.355 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.325 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.62 161.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.992 -1.067 . . . . 0.0 109.137 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 18.9 tptp -50.78 -85.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.985 -1.072 . . . . 0.0 108.584 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.0 -175.32 0.06 Allowed 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.179 -0.95 . . . . 0.0 110.393 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 p -46.66 146.28 1.6 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.225 -1.547 . . . . 0.0 110.157 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -60.04 -50.09 75.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.383 -0.823 . . . . 0.0 111.598 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.637 -1.29 . . . . 0.0 110.605 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -71.72 -32.5 67.83 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.811 -1.156 . . . . 0.0 109.437 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.04 -44.3 94.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.599 -1.313 . . . . 0.0 108.756 178.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HZ2' ' HA ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -69.86 -40.46 75.75 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.866 -177.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.59 -40.14 94.98 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.118 -1.614 . . . . 0.0 109.849 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.53 -52.23 65.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.42 -0.8 . . . . 0.0 110.592 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.04 -39.76 68.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.998 -1.064 . . . . 0.0 111.919 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -22.5 66.92 Favored 'General case' 0 C--N 1.288 -2.104 0 O-C-N 120.63 -1.294 . . . . 0.0 108.31 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -72.33 -39.96 67.79 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.952 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -90.99 -7.22 52.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.297 -0.877 . . . . 0.0 110.198 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -104.77 42.22 1.24 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m -59.96 -40.04 87.7 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.285 -0.885 . . . . 0.0 110.137 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.3 p -58.43 -24.21 59.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.404 -0.81 . . . . 0.0 110.147 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -60.01 -23.65 63.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.593 -1.317 . . . . 0.0 107.483 179.528 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -78.07 -9.13 59.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.88 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 109.962 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.07 82.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.983 -1.073 . . . . 0.0 110.717 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.71 17.88 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.925 -1.109 . . . . 0.0 108.418 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -103.94 -50.46 3.38 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.661 -0.649 . . . . 0.0 110.234 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -102.34 102.39 12.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.177 -0.952 . . . . 0.0 110.81 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -18.79 57.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.552 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -71.58 -40.06 70.16 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.719 -0.613 . . . . 0.0 109.432 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.36 66.78 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.301 -0.874 . . . . 0.0 109.156 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 58' ' ' MET . 61.1 t -59.66 -39.95 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.0 -40.06 92.09 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 37.2 ttpt -65.95 -41.64 91.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.158 -0.964 . . . . 0.0 109.807 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG22 HD12 ' A' ' 57' ' ' ILE . 90.7 mt -60.48 -41.67 88.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.528 -0.732 . . . . 0.0 110.111 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.8 -28.51 68.82 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.61 -39.81 92.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.313 -0.867 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 44.4 mp0 -69.98 -36.36 75.14 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.698 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 10.1 mt -75.71 -24.42 56.21 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.9 -1.125 . . . . 0.0 110.239 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -92.84 -29.35 16.0 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.856 -1.153 . . . . 0.0 110.846 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 22.0 pt-20 -69.71 -34.31 73.71 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.171 -0.956 . . . . 0.0 108.547 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 63' ' ' GLU . 31.1 m120 -151.13 54.36 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.06 -29.46 14.82 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -87.05 0.39 55.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.58 -0.953 . . . . 0.0 109.338 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.44 -153.5 3.27 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -142.53 159.56 42.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.467 -1.019 . . . . 0.0 110.624 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.94 159.88 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 32.1 t0 -127.27 -160.28 0.99 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -62.25 -45.18 94.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 0.0 111.23 -178.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 61.8 tt0 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.737 -1.227 . . . . 0.0 109.903 -178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.491 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.5 mt-10 -80.62 -39.93 26.57 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.71 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -38.67 75.22 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.035 -1.041 . . . . 0.0 108.759 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.4 t -73.84 -40.18 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.382 -0.823 . . . . 0.0 110.778 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.78 -41.51 77.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.483 -0.761 . . . . 0.0 111.122 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.59 -35.75 70.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.93 -40.1 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.116 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.26 84.93 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -64.18 -34.02 77.13 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.8 tp -68.24 -40.06 82.11 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 109.805 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 85' ' ' CYS . 4.1 m -63.99 -36.83 85.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.602 -1.311 . . . . 0.0 109.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 80' ' ' ALA . 1.7 p -50.98 -30.39 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -59.98 -37.59 80.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' THR . 30.2 t -140.18 58.33 1.59 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' THR . 64.8 t30 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.806 0.336 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.93 -42.27 73.5 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.845 -1.159 . . . . 0.0 109.702 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.67 -40.25 94.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.137 -0.977 . . . . 0.0 110.121 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 87.4 m -60.16 -39.91 88.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.276 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.14 85.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.608 -0.682 . . . . 0.0 110.536 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -49.01 79.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.994 -1.067 . . . . 0.0 110.293 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.11 -40.46 89.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.903 -1.123 . . . . 0.0 110.471 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -62.39 -39.84 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.752 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.1 mt -59.99 -39.89 87.29 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.138 -0.976 . . . . 0.0 109.922 -179.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.402 HD11 HG22 ' B' ' 12' ' ' ILE . 97.2 mt -60.03 -43.79 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.835 -1.166 . . . . 0.0 110.313 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.909 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -69.64 -31.83 50.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.9 m-30 -54.5 -37.96 65.92 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' B' ' 20' ' ' GLY . 30.3 m-70 -59.21 -33.56 71.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.42 16.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.295 -0.878 . . . . 0.0 109.891 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.01 -0.32 42.27 Favored 'General case' 0 N--CA 1.511 2.577 0 O-C-N 120.81 -1.181 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 15' ' ' PHE . 4.2 m -135.56 -2.96 2.39 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.773 -1.205 . . . . 0.0 110.651 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.367 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.296 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -48.43 161.34 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.04 -1.038 . . . . 0.0 109.176 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.428 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 19.3 tptp -50.94 -85.09 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.991 -1.068 . . . . 0.0 108.614 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 172.77 -175.4 0.05 Allowed 'General case' 0 N--CA 1.51 2.569 0 O-C-N 121.159 -0.963 . . . . 0.0 110.352 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -46.7 146.39 1.58 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.181 -1.574 . . . . 0.0 110.048 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.498 -0.751 . . . . 0.0 111.63 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -60.03 -40.58 89.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.568 -1.332 . . . . 0.0 110.598 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -71.81 -32.49 67.64 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.362 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -44.38 95.03 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.643 -1.285 . . . . 0.0 108.836 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -40.52 75.79 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.637 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.434 ' O ' ' OG1' ' B' ' 39' ' ' THR . 8.0 t70 -64.62 -40.0 94.72 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.136 -1.602 . . . . 0.0 109.859 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.7 -52.19 65.32 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.549 -0.719 . . . . 0.0 110.472 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.96 -39.87 69.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.975 -1.078 . . . . 0.0 111.923 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -22.09 66.69 Favored 'General case' 0 C--N 1.287 -2.14 0 O-C-N 120.672 -1.267 . . . . 0.0 108.405 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 94.5 m -72.63 -40.02 66.77 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.926 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -91.11 -7.48 51.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.355 -0.84 . . . . 0.0 110.267 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 93.8 mt -104.54 42.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.0 m -60.19 -39.7 87.44 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.129 -0.982 . . . . 0.0 109.992 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -58.51 -24.35 60.31 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 110.033 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -60.04 -23.43 63.73 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.547 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.23 -9.04 59.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.93 -40.05 87.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.303 -0.873 . . . . 0.0 109.966 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.17 82.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 110.764 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.28 17.05 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.009 -1.057 . . . . 0.0 108.435 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -103.64 -50.53 3.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.674 -0.641 . . . . 0.0 110.209 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -102.03 102.62 13.14 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.183 -0.948 . . . . 0.0 110.783 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.16 -18.73 57.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 108.597 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -71.71 -39.99 69.8 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.771 -0.581 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.4 66.92 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.803 . . . . 0.0 109.061 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.483 ' O ' ' SD ' ' B' ' 58' ' ' MET . 58.7 t -59.48 -40.03 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -60.92 -39.96 91.39 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.276 0.56 . . . . 0.0 110.583 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 37.3 ttpt -66.08 -41.73 90.34 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.173 -0.954 . . . . 0.0 109.752 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.57 -41.29 87.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.569 -0.707 . . . . 0.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -61.07 -28.73 69.29 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.261 -0.899 . . . . 0.0 109.214 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.28 -39.86 91.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.761 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 44.6 mp0 -70.05 -36.22 74.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.79 -1.194 . . . . 0.0 110.798 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 10.2 mt -75.89 -24.5 55.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.934 -1.104 . . . . 0.0 110.157 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -92.5 -29.6 16.14 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.82 -1.175 . . . . 0.0 110.927 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.516 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 21.9 pt-20 -69.48 -34.44 74.34 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.185 -0.947 . . . . 0.0 108.638 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' B' ' 63' ' ' GLU . 31.0 m120 -151.16 54.44 0.87 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.07 -29.74 15.41 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -86.62 0.08 55.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.582 -0.952 . . . . 0.0 109.267 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -74.1 -153.32 2.94 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mp0 -142.88 159.61 41.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -1.093 . . . . 0.0 110.525 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.92 160.01 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 32.6 t0 -127.49 -160.58 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.411 -0.806 . . . . 0.0 108.954 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.1 p90 -61.77 -45.44 93.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 0.0 111.363 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.603 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 61.9 tt0 -70.05 -27.23 64.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.699 -1.25 . . . . 0.0 109.783 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.507 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -81.01 -39.79 25.31 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 121.052 -1.03 . . . . 0.0 109.709 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.435 ' CZ ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -70.1 -39.31 75.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.133 -0.979 . . . . 0.0 108.694 179.202 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.35 -40.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.372 -0.83 . . . . 0.0 110.99 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.88 -41.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 O-C-N 121.441 -0.787 . . . . 0.0 111.029 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.72 -35.62 70.24 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.288 -0.883 . . . . 0.0 109.851 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.13 -40.06 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.852 . . . . 0.0 110.103 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.54 85.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -64.03 -34.31 77.72 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.2 tp -68.05 -40.01 82.89 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.925 -1.11 . . . . 0.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.534 ' O ' ' N ' ' B' ' 85' ' ' CYS . 4.1 m -63.91 -37.08 86.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.661 -1.274 . . . . 0.0 109.093 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.43 HG13 ' N ' ' B' ' 84' ' ' ALA . 1.9 p -50.84 -30.39 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.43 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -60.07 -37.32 79.57 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' B' ' 82' ' ' THR . 30.7 t -140.25 58.43 1.58 Allowed 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 82' ' ' THR . 65.0 t30 . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.516 2.566 . . . . 0.0 119.516 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 57.0 p -80.01 167.27 20.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -1.13 . . . . 0.0 109.216 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.0 -49.21 78.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.216 -0.928 . . . . 0.0 110.265 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.522 HD11 ' CE1' ' B' ' 18' ' ' HIS . 50.6 mt -69.98 -40.45 75.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.686 ' H ' ' HG ' ' A' ' 2' ' ' SER . 85.9 tt0 -62.87 -39.28 93.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.346 -0.846 . . . . 0.0 109.452 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.78 -39.78 86.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.506 -0.746 . . . . 0.0 109.59 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.17 84.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -0.911 . . . . 0.0 110.277 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.81 91.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.861 -1.149 . . . . 0.0 110.43 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.94 -40.01 94.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.046 -1.034 . . . . 0.0 110.686 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.5 m -63.06 -40.21 97.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.9 -1.125 . . . . 0.0 110.895 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 83.1 mt -60.42 -39.93 89.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.008 -1.057 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.08 -40.8 90.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.987 -1.07 . . . . 0.0 110.047 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.34 -41.63 98.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.489 ' CG1' HD22 ' B' ' 4' ' ' LEU . 31.4 t -70.93 -31.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.752 -1.218 . . . . 0.0 110.081 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m-30 -57.91 -38.61 76.18 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.0 t-80 -60.06 -36.04 76.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.56 -57.64 6.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.526 -1.359 . . . . 0.0 109.382 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' B' ' 4' ' ' LEU . 77.6 m80 -79.93 -47.83 14.39 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.968 -1.082 . . . . 0.0 111.056 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.605 ' C ' ' H ' ' A' ' 21' ' ' LYS . 69.9 m -81.02 -9.94 59.77 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.126 -0.984 . . . . 0.0 112.35 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -59.62 13.43 0.03 OUTLIER Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.602 -1.311 . . . . 0.0 111.369 -178.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' H ' ' C ' ' A' ' 19' ' ' SER . 26.7 tptp -53.46 -17.55 2.07 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.515 -1.579 . . . . 0.0 107.877 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 20' ' ' GLY . 26.9 tp10 85.62 -21.25 0.23 Allowed 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.082 -1.417 . . . . 0.0 109.527 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.84 -84.37 0.34 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -98.45 110.01 22.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.435 -1.038 . . . . 0.0 108.934 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -70.0 -18.21 63.31 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' C ' ' H ' ' A' ' 28' ' ' LEU . 11.5 m-85 -50.01 172.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 69' ' ' VAL . 23.8 tptt -82.03 19.1 1.19 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.719 -1.238 . . . . 0.0 108.631 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 26' ' ' TYR . 2.9 mt 81.61 -176.06 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.789 0 CA-C-O 122.616 1.198 . . . . 0.0 112.004 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 m -67.67 150.93 48.09 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -56.41 -36.68 69.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.961 -1.087 . . . . 0.0 110.723 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -60.06 -44.16 94.92 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.77 -1.206 . . . . 0.0 110.101 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' LEU . 81.0 tt0 -73.53 -56.13 5.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.882 -1.136 . . . . 0.0 111.059 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.13 -39.42 2.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.898 -1.126 . . . . 0.0 110.587 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 25.0 tptp -66.61 -40.27 88.73 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.311 -1.493 . . . . 0.0 110.212 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 44.0 t0 -60.23 -39.66 87.45 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.562 -1.336 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.94 -56.61 9.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.53 -0.731 . . . . 0.0 112.572 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 3.7 mm? -76.22 -40.09 53.0 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.733 -1.229 . . . . 0.0 112.193 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -54.76 -27.63 42.7 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.137 -0.977 . . . . 0.0 108.716 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -94.89 -41.67 9.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.509 -0.745 . . . . 0.0 109.107 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.99 -38.05 81.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.399 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 12.8 mt -86.4 39.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -46.05 -40.49 10.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.265 -0.897 . . . . 0.0 110.625 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 19.0 m -58.62 -16.71 17.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 26.8 t80 -59.97 -43.73 94.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -63.93 -14.09 50.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' SER . 48.4 t0 -57.33 -35.71 70.23 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.386 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.528 ' CG2' HD21 ' A' ' 87' ' ' ASN . 1.6 p -166.24 87.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.728 -1.232 . . . . 0.0 111.315 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.05 140.13 56.28 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.663 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.1 mmmt -108.97 -81.02 0.57 Allowed 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 -178.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -93.84 108.74 20.49 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.0 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.06 59.93 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -71.53 -40.02 70.34 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.73 58.11 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.168 -0.958 . . . . 0.0 108.828 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -40.0 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -60.34 -40.46 90.75 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.073 0.464 . . . . 0.0 111.415 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.72 -39.97 76.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 110.13 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 57' ' ' ILE . 1.5 mp -64.25 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -25.59 68.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.449 -0.782 . . . . 0.0 108.908 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -64.4 -40.02 94.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.5 -0.75 . . . . 0.0 111.067 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.29 -38.09 74.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.693 -1.255 . . . . 0.0 110.995 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.469 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 2.9 mt -78.91 -22.45 45.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.022 -1.049 . . . . 0.0 110.543 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.99 -30.25 15.43 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.777 -1.202 . . . . 0.0 109.996 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.17 -34.63 71.12 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' C ' ' H ' ' A' ' 66' ' ' ASP . 48.3 t30 -151.65 56.76 0.86 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.74 -13.99 0.96 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 64' ' ' ASN . 97.0 m-20 -85.3 0.27 52.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -1.013 . . . . 0.0 108.904 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -62.21 -150.73 0.02 OUTLIER Glycine 0 N--CA 1.479 1.547 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -145.71 154.62 42.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.358 -1.083 . . . . 0.0 111.307 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.552 ' O ' ' N ' ' A' ' 27' ' ' LYS . 3.4 m -139.94 142.68 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.7 t0 -128.24 -154.74 0.65 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.3 p90 -61.32 -48.64 80.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.283 -0.886 . . . . 0.0 112.285 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 1.044 ' CD ' ' CG2' ' B' ' 83' ' ' VAL . 63.6 tt0 -70.01 -28.1 65.22 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.537 -1.352 . . . . 0.0 109.07 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 28.5 mm-40 -80.82 -36.96 30.89 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 4.2 t80 -69.93 -38.25 76.14 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.413 -0.804 . . . . 0.0 109.218 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.604 ' CG1' ' HB3' ' B' ' 79' ' ' ALA . 49.7 t -76.75 -42.56 33.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 O-C-N 121.499 -0.751 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.9 t -72.68 -39.98 61.19 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 O-C-N 121.272 -0.893 . . . . 0.0 110.417 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.31 -39.9 64.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.49 -0.756 . . . . 0.0 110.505 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 88.6 t -71.98 -37.68 61.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.405 -0.809 . . . . 0.0 109.04 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' HB1' ' CG1' ' B' ' 75' ' ' VAL . . . -66.64 -36.72 83.24 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.891 ' HA ' HE21 ' B' ' 72' ' ' GLN . . . -60.25 -42.45 95.32 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.896 0.855 . . . . 0.0 108.754 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.1 -40.99 91.55 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.443 -1.411 . . . . 0.0 107.909 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 86' ' ' ASN . 1.2 m -49.97 -30.02 9.63 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.512 -0.742 . . . . 0.0 109.182 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 1.039 ' CG2' ' CD ' ' B' ' 72' ' ' GLN . 47.1 t -59.95 -45.51 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-O 122.291 1.043 . . . . 0.0 108.396 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.663 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -68.95 -21.87 64.16 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.861 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.531 ' C ' ' H ' ' A' ' 87' ' ' ASN . 33.3 t -135.94 29.74 3.11 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.567 -1.333 . . . . 0.0 108.165 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 82' ' ' THR . 40.9 p30 -57.59 -0.55 0.07 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.831 . . . . 0.0 109.9 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.531 ' H ' ' C ' ' A' ' 85' ' ' CYS . 32.5 t-20 -52.27 117.77 3.05 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.292 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -70.02 -25.89 63.8 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.553 ' C ' ' H ' ' A' ' 91' ' ' GLU . 78.7 m-85 -71.24 -6.96 43.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 0.0 109.447 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.424 ' C ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -63.63 41.61 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.769 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 89' ' ' PHE . 79.6 mm-40 -80.36 134.39 36.03 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 108.869 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -90.61 -0.01 57.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.043 . . . . 0.0 109.82 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.658 179.805 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.808 0 N-CA-C 119.36 2.504 . . . . 0.0 119.36 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.651 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 54.1 p -79.84 167.42 20.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -1.165 . . . . 0.0 109.1 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.49 -49.08 79.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 110.181 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 18' ' ' HIS . 50.8 mt -69.89 -40.64 75.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.028 -1.045 . . . . 0.0 109.157 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.651 ' H ' ' HG ' ' B' ' 2' ' ' SER . 85.8 tt0 -62.67 -39.29 93.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.4 -0.812 . . . . 0.0 109.372 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.82 -39.9 86.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 109.53 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.23 84.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.0 110.284 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.67 92.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.993 -1.067 . . . . 0.0 110.489 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.97 -40.1 94.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.092 . . . . 0.0 110.821 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -62.92 -39.96 96.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.02 -1.05 . . . . 0.0 110.946 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.7 mt -60.49 -40.08 90.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.042 -1.036 . . . . 0.0 111.009 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -41.17 91.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.965 -1.084 . . . . 0.0 109.994 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.99 -41.58 99.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.177 -0.952 . . . . 0.0 111.401 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 4' ' ' LEU . 23.3 t -71.18 -31.33 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.612 -1.305 . . . . 0.0 110.177 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 9.0 m-30 -58.3 -38.42 77.01 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.0 t-80 -60.04 -35.84 75.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.58 7.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.522 ' CE1' HD11 ' A' ' 4' ' ' LEU . 77.4 m80 -79.97 -48.03 14.02 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.943 -1.098 . . . . 0.0 111.001 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.593 ' C ' ' H ' ' B' ' 21' ' ' LYS . 67.6 m -80.87 -10.09 59.76 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.099 -1.001 . . . . 0.0 112.319 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.44 13.27 0.03 OUTLIER Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.44 -1.362 . . . . 0.0 111.433 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' B' ' 19' ' ' SER . 26.8 tptp -53.27 -17.25 1.64 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.569 -1.548 . . . . 0.0 107.916 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' B' ' 20' ' ' GLY . 26.6 tp10 85.02 -21.02 0.25 Allowed 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.608 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.09 -83.88 0.38 Allowed Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -98.87 109.86 22.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -1.142 . . . . 0.0 108.926 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -18.26 63.34 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.455 ' C ' ' H ' ' B' ' 28' ' ' LEU . 11.4 m-85 -49.96 173.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 69' ' ' VAL . 23.2 tptt -82.31 19.22 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.812 1.292 . . . . 0.0 108.634 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' B' ' 26' ' ' TYR . 2.9 mt 81.51 -176.24 0.05 Allowed 'General case' 0 N--CA 1.514 2.767 0 CA-C-O 122.513 1.149 . . . . 0.0 112.176 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -67.56 150.32 48.97 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -55.83 -36.98 68.08 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.987 -1.07 . . . . 0.0 110.677 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -60.02 -44.25 94.72 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.794 -1.191 . . . . 0.0 109.97 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 33' ' ' LEU . 81.0 tt0 -73.34 -56.24 5.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.784 -1.197 . . . . 0.0 111.08 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -42.88 -39.4 2.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.94 -1.1 . . . . 0.0 110.61 -178.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.414 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 24.9 tptp -66.83 -40.2 87.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.097 -1.627 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 44.6 t0 -60.06 -39.88 87.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.633 -1.292 . . . . 0.0 109.213 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.03 -56.53 9.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.581 -0.699 . . . . 0.0 112.638 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 3.8 mm? -76.32 -40.16 52.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.7 -1.25 . . . . 0.0 112.224 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -54.52 -27.64 39.67 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 121.138 -0.976 . . . . 0.0 108.712 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -94.91 -41.68 9.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.451 -0.781 . . . . 0.0 109.085 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.95 -37.98 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 12.9 mt -86.76 39.47 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -45.74 -40.56 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.363 -0.836 . . . . 0.0 110.589 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 19.9 m -58.62 -16.95 18.26 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 27.2 t80 -60.07 -43.48 95.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.08 -14.25 53.23 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' B' ' 43' ' ' SER . 48.4 t0 -57.2 -35.66 69.89 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.282 -0.886 . . . . 0.0 109.404 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.503 ' CG2' HD21 ' B' ' 87' ' ' ASN . 1.9 p -166.38 87.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.729 -1.232 . . . . 0.0 111.427 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.24 140.02 56.03 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.888 -1.132 . . . . 0.0 107.949 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.643 ' N ' ' O ' ' B' ' 84' ' ' ALA . 16.8 mmmt -108.85 -80.89 0.57 Allowed 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -93.95 108.64 20.42 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.15 0.976 . . . . 0.0 109.002 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.39 59.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -71.22 -39.88 71.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.514 -0.741 . . . . 0.0 109.797 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.84 56.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 108.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -40.0 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -60.37 -40.42 90.73 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 121.097 0.475 . . . . 0.0 111.498 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -69.98 -40.03 75.58 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.144 -0.972 . . . . 0.0 109.979 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.424 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.5 mp -64.12 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -25.91 68.27 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -64.21 -40.04 95.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 111.117 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.2 -38.4 75.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.656 -1.278 . . . . 0.0 110.984 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.464 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 2.9 mt -78.64 -22.73 46.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 110.567 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.8 -30.01 15.69 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.69 -1.256 . . . . 0.0 110.061 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.39 -34.47 70.42 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' B' ' 66' ' ' ASP . 48.9 t30 -151.56 56.42 0.87 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.5 -14.23 0.92 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' B' ' 64' ' ' ASN . 96.9 m-20 -85.07 0.03 52.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -1.05 . . . . 0.0 108.957 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -62.02 -150.83 0.02 OUTLIER Glycine 0 N--CA 1.48 1.581 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -145.78 154.74 42.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.246 -1.149 . . . . 0.0 111.042 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 m -139.96 142.67 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.8 t0 -128.24 -154.67 0.65 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.1 p90 -61.45 -48.8 79.49 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.297 -0.877 . . . . 0.0 112.218 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 1.039 ' CD ' ' CG2' ' A' ' 83' ' ' VAL . 63.9 tt0 -69.92 -28.02 65.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.511 -1.368 . . . . 0.0 109.047 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 29.2 mm-40 -80.83 -36.87 30.99 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.472 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 4.5 t80 -70.04 -38.47 75.84 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.417 -0.802 . . . . 0.0 109.229 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.592 ' CG1' ' HB1' ' A' ' 79' ' ' ALA . 53.7 t -76.33 -42.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.443 -0.786 . . . . 0.0 111.166 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.75 -39.99 60.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 O-C-N 121.216 -0.927 . . . . 0.0 110.493 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 110.405 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 78.3 t -72.11 -37.75 60.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.332 -0.855 . . . . 0.0 109.015 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.604 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . . . -66.56 -36.72 83.34 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.918 ' HA ' HE21 ' A' ' 72' ' ' GLN . . . -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.854 0.835 . . . . 0.0 108.821 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.07 -40.9 91.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.457 -1.402 . . . . 0.0 107.766 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 86' ' ' ASN . 1.3 m -50.06 -30.02 10.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.436 -0.79 . . . . 0.0 109.27 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 1.044 ' CG2' ' CD ' ' A' ' 72' ' ' GLN . 46.7 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.938 -1.102 . . . . 0.0 108.429 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.643 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -68.95 -21.71 64.17 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.019 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.553 ' C ' ' H ' ' B' ' 87' ' ' ASN . 33.8 t -136.11 29.93 3.05 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.573 -1.329 . . . . 0.0 108.148 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.4 p30 -57.83 -0.5 0.08 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 0.0 109.961 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.553 ' H ' ' C ' ' B' ' 85' ' ' CYS . 32.8 t-20 -52.32 117.75 3.05 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.167 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -70.01 -25.46 63.6 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' B' ' 91' ' ' GLU . 78.7 m-85 -71.72 -6.62 42.59 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.409 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 0.3 OUTLIER -63.82 40.86 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.343 -0.848 . . . . 0.0 110.778 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' B' ' 89' ' ' PHE . 79.3 mm-40 -79.2 134.7 36.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.023 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -90.84 -0.14 57.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.989 -1.069 . . . . 0.0 109.818 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.062 -0.97 . . . . 0.0 109.61 179.817 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.608 2.603 . . . . 0.0 119.608 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 6' ' ' THR . 8.0 t -81.23 161.47 23.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -1.119 . . . . 0.0 109.692 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.336 -0.852 . . . . 0.0 109.832 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -71.06 -42.08 69.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.896 -1.127 . . . . 0.0 110.341 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.32 -40.11 77.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.742 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 2' ' ' SER . 94.3 m -60.16 -39.9 88.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.355 -0.84 . . . . 0.0 109.764 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.75 91.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.178 -0.951 . . . . 0.0 110.324 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.619 ' CE ' ' HG1' ' B' ' 82' ' ' THR . 2.7 tpt -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.814 -1.179 . . . . 0.0 110.03 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.9 -36.63 77.39 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 108.793 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -60.12 -38.7 83.81 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.507 -0.746 . . . . 0.0 109.935 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.862 -1.149 . . . . 0.0 110.356 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 12' ' ' ILE . 84.0 mt -60.18 -48.76 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.509 -1.369 . . . . 0.0 110.546 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.99 -39.45 85.78 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.852 -1.155 . . . . 0.0 110.405 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.99 -38.93 78.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.043 -1.036 . . . . 0.0 110.088 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.77 -35.18 68.36 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.165 -0.959 . . . . 0.0 108.502 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -59.24 -37.64 78.06 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.33 -56.56 9.12 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 110.439 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -95.1 -48.47 5.94 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.675 -1.266 . . . . 0.0 111.283 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -73.73 -24.49 59.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.924 -1.11 . . . . 0.0 111.264 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.45 96.44 Favored Glycine 0 N--CA 1.493 2.46 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -11.55 59.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.37 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -93.23 140.55 29.41 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.69 70.89 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -85.71 120.4 27.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.234 -1.156 . . . . 0.0 109.649 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' TYR . 49.5 mtmt -67.04 -31.4 71.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.491 -0.755 . . . . 0.0 109.81 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 64.2 m-85 -49.3 175.27 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 109.117 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -79.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.846 -1.159 . . . . 0.0 109.42 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 HD11 ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -173.48 -177.06 1.4 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.106 -0.996 . . . . 0.0 108.711 -179.418 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.463 ' H ' HD11 ' A' ' 28' ' ' LEU . 80.4 p -69.18 155.44 40.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 177.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -57.11 -49.4 76.03 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.516 -1.365 . . . . 0.0 111.676 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.65 -46.31 90.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.084 -1.635 . . . . 0.0 110.825 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.67 -40.01 91.93 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.869 -1.145 . . . . 0.0 109.08 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -56.1 -39.99 72.99 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.534 -0.729 . . . . 0.0 109.502 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HZ3' ' CG2' ' A' ' 57' ' ' ILE . 34.6 tptt -72.37 -51.95 18.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.709 -1.245 . . . . 0.0 111.306 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 51.2 t0 -57.56 -28.97 64.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.409 -1.432 . . . . 0.0 109.772 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.18 -56.09 5.31 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.77 -0.581 . . . . 0.0 110.777 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.48 -55.07 6.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.119 -0.988 . . . . 0.0 111.593 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -48.56 -25.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.131 -0.98 . . . . 0.0 108.562 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 m -80.28 -38.54 30.6 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.96 -17.18 53.6 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.0 mt -96.2 33.02 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.6 m -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.696 -0.628 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 52.3 m -64.7 -26.06 68.21 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.917 -1.114 . . . . 0.0 108.958 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 57.4 m-85 -70.11 -24.21 63.16 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.622 -1.299 . . . . 0.0 107.88 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 10.7 mp -74.4 -0.96 18.96 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 43' ' ' SER . 96.2 m-20 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.293 -0.88 . . . . 0.0 109.566 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.52 90.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.212 -0.93 . . . . 0.0 109.484 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 45' ' ' LEU . 25.5 mp0 -68.69 113.26 6.02 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.382 -0.824 . . . . 0.0 110.601 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 84' ' ' ALA . 32.1 mmtp -80.57 -69.98 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -100.89 95.43 6.61 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.144 0.973 . . . . 0.0 110.462 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.5 63.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.734 -1.229 . . . . 0.0 108.672 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -70.69 -39.9 73.23 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.5 62.54 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.69 -37.9 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 47.8 t0 -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.9 -0.5 . . . . 0.0 110.587 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -67.47 -39.43 85.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.911 -1.118 . . . . 0.0 109.364 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.402 ' CG2' ' HZ3' ' A' ' 34' ' ' LYS . 83.0 mt -59.9 -40.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.566 0.698 . . . . 0.0 109.217 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.3 -35.84 81.42 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.087 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' OE1' ' CD1' ' A' ' 77' ' ' LEU . 98.9 mt-10 -60.88 -40.03 91.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 110.621 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 28.5 mt -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.077 -1.014 . . . . 0.0 109.11 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 56.0 t0 -85.41 -30.95 23.17 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 109.864 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.76 -40.01 90.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.389 -0.819 . . . . 0.0 108.86 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 13.7 p-10 -155.35 58.06 0.64 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -48.73 -27.37 6.19 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.58 0.05 57.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.98 . . . . 0.0 109.536 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.85 -154.3 1.36 Allowed Glycine 0 N--CA 1.479 1.535 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -143.94 159.25 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.335 -1.097 . . . . 0.0 111.267 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.428 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 15.7 m -133.49 146.92 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 3.8 m-20 -128.84 -152.88 0.54 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.24 -0.913 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.625 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 8.8 p90 -59.49 -48.24 82.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.828 -0.545 . . . . 0.0 111.401 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 7.0 tt0 -69.97 -31.05 68.57 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.453 -1.405 . . . . 0.0 109.656 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 53.7 mp0 -83.52 -36.59 23.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.075 -1.016 . . . . 0.0 109.648 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.441 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 9.9 t80 -70.02 -38.39 75.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 109.024 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -77.38 -44.53 30.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.067 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.562 ' HA ' HG23 ' B' ' 76' ' ' VAL . 95.8 t -71.56 -40.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 110.537 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD1' ' OE1' ' A' ' 60' ' ' GLU . 5.3 tp -71.92 -38.3 69.92 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.404 -0.81 . . . . 0.0 110.387 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 72.2 t -69.63 -39.98 78.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.94 -1.1 . . . . 0.0 108.524 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.63 83.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.15 -40.12 94.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.418 -1.426 . . . . 0.0 109.094 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.3 m -59.54 -30.6 68.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.559 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG22 ' HZ ' ' B' ' 71' ' ' PHE . 52.7 t -59.04 -39.96 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.83 -20.53 65.87 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.737 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.623 ' O ' ' N ' ' A' ' 87' ' ' ASN . 13.3 t -148.66 70.43 1.12 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.44 56.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.623 ' N ' ' O ' ' A' ' 85' ' ' CYS . 37.2 t30 -51.12 138.84 19.28 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.961 0.886 . . . . 0.0 111.233 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -147.62 -69.92 0.23 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -90.72 -10.09 44.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.511 -0.743 . . . . 0.0 109.314 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -94.6 41.87 1.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.324 -0.86 . . . . 0.0 110.17 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -72.15 148.36 45.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.59 137.4 57.34 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.026 -1.046 . . . . 0.0 109.715 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.586 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.844 0 N-CA-C 119.556 2.583 . . . . 0.0 119.556 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.43 ' O ' ' OG1' ' B' ' 6' ' ' THR . 8.2 t -81.45 161.34 23.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 0.0 109.473 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.89 -48.48 81.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.296 -0.878 . . . . 0.0 109.769 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' B' ' 4' ' ' LEU . 0.8 OUTLIER -70.86 -42.26 70.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.986 -1.071 . . . . 0.0 110.345 -179.249 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.39 -39.92 77.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.035 -1.041 . . . . 0.0 109.721 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 2' ' ' SER . 94.7 m -60.15 -39.96 88.19 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.439 -0.788 . . . . 0.0 109.654 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.11 89.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.202 -0.937 . . . . 0.0 110.39 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.023 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.91 -36.57 77.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.18 -0.95 . . . . 0.0 108.804 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -38.91 83.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.431 -0.793 . . . . 0.0 109.917 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.853 -1.155 . . . . 0.0 110.375 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.426 HG22 HD12 ' B' ' 12' ' ' ILE . 87.3 mt -60.08 -48.55 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.406 -1.434 . . . . 0.0 110.613 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.01 -39.36 85.57 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.884 -1.135 . . . . 0.0 110.407 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.01 -38.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.001 -1.062 . . . . 0.0 110.162 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.93 -34.9 68.44 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -59.32 -37.86 78.85 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.09 -56.72 8.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.128 -0.982 . . . . 0.0 110.433 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.0 -48.73 5.86 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 120.653 -1.279 . . . . 0.0 111.25 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -73.5 -24.53 60.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.924 -1.11 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -42.91 96.14 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 119.531 -1.319 . . . . 0.0 110.275 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -11.69 60.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.355 . . . . 0.0 109.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -93.07 140.83 29.07 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.04 71.33 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -85.85 120.37 27.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -1.192 . . . . 0.0 109.728 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 26' ' ' TYR . 49.4 mtmt -66.66 -31.72 72.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.501 -0.749 . . . . 0.0 109.924 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 25' ' ' LYS . 64.2 m-85 -49.17 175.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.14 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.764 -1.21 . . . . 0.0 109.374 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.468 HD11 ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -173.05 -177.12 1.51 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.034 -1.041 . . . . 0.0 108.736 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.468 ' H ' HD11 ' B' ' 28' ' ' LEU . 77.3 p -69.07 155.42 40.39 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 177.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -57.08 -49.53 75.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.516 -1.365 . . . . 0.0 111.565 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.417 ' HZ3' ' CB ' ' B' ' 61' ' ' LEU . 25.2 mmtm -60.68 -46.38 90.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.127 -1.608 . . . . 0.0 110.862 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -65.62 -39.97 92.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.877 -1.139 . . . . 0.0 109.031 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.446 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -56.03 -39.99 72.8 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.558 -0.714 . . . . 0.0 109.542 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HZ1' ' CG2' ' B' ' 57' ' ' ILE . 33.4 tptt -72.28 -52.18 17.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.815 -1.178 . . . . 0.0 111.265 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 51.5 t0 -57.47 -28.91 63.81 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.423 -1.423 . . . . 0.0 109.788 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.15 -56.06 5.35 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.694 -0.628 . . . . 0.0 110.775 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.46 -55.13 5.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.199 -0.938 . . . . 0.0 111.627 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.33 -25.85 1.77 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.239 -0.913 . . . . 0.0 108.537 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 13.2 m -80.01 -38.76 31.38 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.97 -16.99 54.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 25.4 mt -96.17 32.66 1.89 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.95 -40.07 87.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.663 -0.648 . . . . 0.0 110.711 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 53.5 m -64.62 -26.08 68.24 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.831 -1.168 . . . . 0.0 108.943 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.564 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 57.7 m-85 -70.27 -23.89 62.96 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.468 -1.293 . . . . 0.0 107.915 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 48' ' ' GLN . 10.6 mp -74.52 -1.1 19.89 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' B' ' 43' ' ' SER . 96.0 m-20 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.753 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.43 90.52 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.173 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 45' ' ' LEU . 25.7 mp0 -68.96 113.28 6.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.709 0.766 . . . . 0.0 110.547 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' B' ' 84' ' ' ALA . 32.4 mmtp -80.47 -70.05 0.55 Allowed 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.8 95.51 6.69 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-O 122.159 0.98 . . . . 0.0 110.489 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.8 63.88 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.769 -1.207 . . . . 0.0 108.742 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -70.64 -39.9 73.38 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.8 62.1 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.292 -0.88 . . . . 0.0 109.498 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.88 -37.83 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 47.8 t0 -60.04 -40.03 87.96 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.963 -0.461 . . . . 0.0 110.621 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -39.54 86.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.484 ' CG2' ' HZ1' ' B' ' 34' ' ' LYS . 77.9 mt -60.07 -40.0 82.01 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.542 0.687 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttm -65.96 -35.96 82.03 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -60.02 -40.07 88.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.142 -0.974 . . . . 0.0 110.208 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' B' ' 77' ' ' LEU . 99.0 mt-10 -61.16 -40.04 92.37 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.253 -0.904 . . . . 0.0 110.525 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 30.2 mt -59.6 -27.44 66.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.109 -0.995 . . . . 0.0 109.168 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 57.4 t0 -85.69 -30.76 22.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.354 -0.841 . . . . 0.0 109.743 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.9 -40.03 91.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.352 -0.843 . . . . 0.0 108.807 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' B' ' 64' ' ' ASN . 13.6 p-10 -155.31 58.03 0.64 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -48.57 -27.57 6.09 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.57 0.05 57.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.485 -1.009 . . . . 0.0 109.563 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -70.96 -154.21 1.37 Allowed Glycine 0 N--CA 1.479 1.551 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -144.1 159.17 43.09 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.401 -1.058 . . . . 0.0 111.361 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.429 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 16.7 m -133.55 146.87 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.489 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 3.6 m-20 -128.73 -152.84 0.54 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 9.0 p90 -59.51 -47.99 83.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.712 -0.617 . . . . 0.0 111.453 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.624 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 7.0 tt0 -70.09 -31.1 68.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.456 -1.402 . . . . 0.0 109.566 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 54.6 mp0 -83.57 -36.56 23.88 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.965 -1.084 . . . . 0.0 109.737 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.464 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 8.9 t80 -70.05 -38.41 75.81 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 109.037 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.2 -44.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.12 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.562 HG23 ' HA ' ' A' ' 76' ' ' VAL . 97.3 t -71.48 -40.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.343 -0.848 . . . . 0.0 110.515 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.402 ' CD1' ' OE1' ' B' ' 60' ' ' GLU . 5.4 tp -72.09 -38.05 69.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 75.6 t -69.57 -40.04 79.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.985 -1.072 . . . . 0.0 108.525 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.89 87.94 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.77 83.48 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.33 -39.9 94.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.383 -1.448 . . . . 0.0 109.021 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.619 ' HG1' ' CE ' ' A' ' 8' ' ' MET . 32.0 m -59.49 -30.44 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 0.0 109.445 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.548 HG22 ' HZ ' ' A' ' 71' ' ' PHE . 55.6 t -59.23 -39.95 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.95 -20.36 65.82 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.773 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.668 ' O ' ' N ' ' B' ' 87' ' ' ASN . 12.1 t -148.75 70.54 1.12 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.801 -1.187 . . . . 0.0 107.89 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.52 56.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.668 ' N ' ' O ' ' B' ' 85' ' ' CYS . 35.1 t30 -51.38 138.82 20.74 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.949 0.88 . . . . 0.0 111.28 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -147.44 -70.07 0.23 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -90.52 -10.04 45.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.517 -0.739 . . . . 0.0 109.333 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -94.48 41.1 1.09 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 0.0 110.238 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.84 148.94 47.31 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.584 -0.698 . . . . 0.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.64 138.08 57.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 72.5 p . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.526 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.775 0 N-CA-C 118.865 2.306 . . . . 0.0 118.865 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 60.3 p -81.67 162.18 23.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -1.218 . . . . 0.0 109.432 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.15 -40.85 91.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.185 -0.947 . . . . 0.0 110.416 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -79.11 -50.25 11.32 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.25 -39.57 93.29 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.0 109.948 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 2' ' ' SER . 94.2 m -61.09 -40.12 92.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.438 -0.789 . . . . 0.0 110.122 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.18 90.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 110.354 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.94 93.27 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.035 -1.041 . . . . 0.0 109.433 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.8 -38.06 86.7 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.137 -0.977 . . . . 0.0 109.678 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -59.75 -40.19 87.31 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 110.124 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 87.1 mt -60.14 -40.76 90.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.98 -1.075 . . . . 0.0 110.409 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.1 -40.65 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.423 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.22 -40.28 95.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.5 t -73.8 -31.46 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.745 -1.222 . . . . 0.0 110.893 -178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.0 m-30 -55.91 -39.83 72.19 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.57 ' O ' ' N ' ' A' ' 20' ' ' GLY . 7.2 m-70 -62.93 -24.99 68.12 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.87 -50.54 73.4 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.011 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -90.41 -14.79 32.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.228 -0.92 . . . . 0.0 111.382 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 m -137.76 11.75 2.92 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.679 -1.263 . . . . 0.0 111.718 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -83.41 -27.35 39.86 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -74.51 -13.28 60.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -1.191 . . . . 0.0 108.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.67 156.03 21.69 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.462 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.58 88.37 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -101.91 117.76 35.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.693 -0.887 . . . . 0.0 109.035 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.89 -19.98 61.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.782 -1.199 . . . . 0.0 109.325 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -51.67 168.04 0.09 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.845 -1.159 . . . . 0.0 108.133 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -67.28 -80.33 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.978 -1.077 . . . . 0.0 109.744 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD1' ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -173.18 -178.2 1.7 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 -178.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.472 ' H ' ' CD1' ' A' ' 28' ' ' LEU . 97.1 p -69.1 157.35 37.03 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -59.34 -48.28 82.24 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.695 -1.253 . . . . 0.0 112.304 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -60.55 -44.64 95.91 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 119.842 -1.786 . . . . 0.0 111.716 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.44 -40.83 73.53 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.663 -1.273 . . . . 0.0 108.858 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -48.93 -51.45 30.11 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.516 0.674 . . . . 0.0 109.755 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -65.11 -40.23 94.23 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.552 -1.342 . . . . 0.0 111.913 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' A' ' 39' ' ' THR . 92.0 m-20 -59.65 -34.93 73.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.493 -1.38 . . . . 0.0 109.062 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 mt -72.25 -55.32 7.4 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.87 -42.45 63.65 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 119.601 -1.937 . . . . 0.0 111.245 -178.04 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 17.3 m -74.47 -39.79 62.27 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.435 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.03 -17.53 52.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.884 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 mt -100.98 32.95 2.99 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.141 -0.974 . . . . 0.0 108.653 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.585 0.707 . . . . 0.0 110.279 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -61.25 -26.82 68.02 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.517 -0.739 . . . . 0.0 110.087 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 32.2 m-85 -70.08 -19.91 63.24 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.78 -8.72 57.54 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 30.5 p-10 -48.91 -43.15 39.02 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.424 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.509 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 1.5 m -152.09 88.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.86 . . . . 0.0 109.275 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -68.43 111.36 4.62 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.022 -1.049 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.676 ' N ' ' O ' ' A' ' 84' ' ' ALA . 43.5 mmtm -79.53 -68.04 0.7 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -93.46 90.4 6.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 122.169 0.985 . . . . 0.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.57 -17.37 62.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.462 -0.774 . . . . 0.0 109.069 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.87 -38.41 76.39 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 121.626 -0.671 . . . . 0.0 109.605 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.55 60.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.213 -0.929 . . . . 0.0 109.96 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -39.16 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.1 -40.56 90.1 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.26 0.552 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.2 -41.18 98.12 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.124 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 57' ' ' ILE . 77.6 mt -60.35 -41.02 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.611 -0.681 . . . . 0.0 109.74 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -56.68 -34.29 67.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.078 -1.014 . . . . 0.0 109.028 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.41 -39.78 91.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.04 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.48 -39.04 88.55 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.026 -1.046 . . . . 0.0 110.626 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 15.8 mt -69.64 -26.44 64.41 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 110.887 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -88.95 -37.04 15.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.552 -1.342 . . . . 0.0 110.305 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.4 -33.39 71.33 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' GLY . 26.5 m120 -145.5 45.59 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.396 -0.815 . . . . 0.0 109.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.26 -31.17 19.38 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.93 -0.3 56.81 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.474 -1.015 . . . . 0.0 108.484 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -65.57 -149.94 0.08 OUTLIER Glycine 0 N--CA 1.477 1.418 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -154.07 155.24 35.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.112 . . . . 0.0 110.967 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.0 m -133.82 153.27 36.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.531 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 15.7 m-20 -127.54 -158.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.575 -0.703 . . . . 0.0 109.449 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 33.3 p90 -59.48 -49.42 77.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.703 -0.623 . . . . 0.0 112.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.684 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.9 tt0 -69.99 -27.29 64.59 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.344 -1.472 . . . . 0.0 109.591 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 40.4 mt-10 -81.7 -38.97 24.98 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.756 0.789 . . . . 0.0 109.121 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -69.72 -38.51 76.92 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.461 -0.775 . . . . 0.0 109.228 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.34 -41.35 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.502 -0.749 . . . . 0.0 110.835 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.1 t -69.84 -40.61 79.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.147 -0.971 . . . . 0.0 109.46 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.87 -38.03 79.46 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.417 -0.802 . . . . 0.0 110.545 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.17 -40.17 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.903 -1.123 . . . . 0.0 109.282 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.17 -38.57 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.23 -36.03 82.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.324 -1.485 . . . . 0.0 109.141 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -61.03 -36.84 80.61 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.086 -1.009 . . . . 0.0 109.462 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -39.66 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -60.78 -24.58 65.88 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.404 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.691 ' C ' ' H ' ' A' ' 87' ' ' ASN . 18.1 t -144.46 60.68 1.34 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.497 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 9.4 p-10 -67.42 35.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.812 -1.18 . . . . 0.0 108.568 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.691 ' H ' ' C ' ' A' ' 85' ' ' CYS . 0.0 OUTLIER -60.44 140.98 56.98 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.253 0.549 . . . . 0.0 110.999 -179.345 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 86' ' ' ASN . 97.7 m-85 -121.28 -46.01 2.31 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.444 -0.785 . . . . 0.0 109.232 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -91.44 -26.81 18.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.459 -0.776 . . . . 0.0 110.654 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.459 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 6.0 m-90 -85.35 29.31 0.68 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.713 -1.242 . . . . 0.0 110.365 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -73.85 142.08 46.09 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.5 -0.75 . . . . 0.0 109.463 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.17 138.8 54.43 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.921 -1.112 . . . . 0.0 109.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.73 -1.129 . . . . 0.0 109.612 -179.377 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.778 0 N-CA-C 119.635 2.614 . . . . 0.0 119.635 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.629 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 81.5 p -79.76 162.25 25.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.268 -1.136 . . . . 0.0 109.534 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.33 -40.72 91.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.473 -0.767 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.24 -49.82 11.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.576 -0.703 . . . . 0.0 110.581 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.629 ' H ' ' HG ' ' B' ' 2' ' ' SER . 87.9 tt0 -61.93 -40.03 94.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.96 -1.088 . . . . 0.0 109.914 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 2' ' ' SER . 94.4 m -60.54 -40.91 93.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.838 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.78 91.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.498 -0.751 . . . . 0.0 110.42 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.12 92.73 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.181 -0.949 . . . . 0.0 109.514 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.25 -37.96 84.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.694 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.7 m -59.84 -39.5 85.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.268 -0.895 . . . . 0.0 109.981 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.2 mt -60.54 -41.07 93.74 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.882 -1.136 . . . . 0.0 110.596 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.87 -42.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.017 -1.052 . . . . 0.0 110.233 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.84 -40.35 92.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.017 -1.052 . . . . 0.0 111.454 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' ALA . 25.4 t -73.58 -33.43 39.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 120.549 -1.344 . . . . 0.0 110.596 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.3 m-30 -54.11 -39.94 66.86 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' B' ' 20' ' ' GLY . 6.1 m-70 -61.94 -26.8 68.41 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -59.8 -47.91 83.82 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.569 -1.332 . . . . 0.0 109.398 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -92.5 -14.14 28.83 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.965 -1.084 . . . . 0.0 111.168 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -138.5 11.85 2.75 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.132 -0.98 . . . . 0.0 111.54 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -83.31 -26.94 41.62 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -76.33 -13.18 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -1.171 . . . . 0.0 108.955 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.19 155.98 22.27 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.137 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.0 87.21 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -102.84 119.63 39.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -1.067 . . . . 0.0 109.192 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -73.04 -20.61 60.95 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.569 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -50.98 168.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.997 -1.064 . . . . 0.0 108.369 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' HZ3' HD22 ' B' ' 33' ' ' LEU . 23.6 tptp -68.35 -80.97 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.677 -1.265 . . . . 0.0 109.975 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.477 ' CD1' ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -171.23 -178.81 2.49 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.106 -0.996 . . . . 0.0 109.231 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.477 ' H ' ' CD1' ' B' ' 28' ' ' LEU . 97.7 p -69.56 156.96 38.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -59.1 -49.17 78.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.431 -1.418 . . . . 0.0 112.359 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -59.91 -44.17 94.45 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.755 -1.841 . . . . 0.0 111.633 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.51 -41.05 73.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.539 -1.351 . . . . 0.0 109.102 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.453 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -49.12 -50.74 35.86 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.306 0.574 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.427 ' HZ1' HD23 ' B' ' 81' ' ' LEU . 6.9 tptm -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 120.762 -1.211 . . . . 0.0 111.424 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' B' ' 39' ' ' THR . 92.8 m-20 -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.738 -1.226 . . . . 0.0 109.4 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.52 -54.08 10.24 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -73.17 -42.4 62.79 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.018 -1.676 . . . . 0.0 111.243 -177.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.57 -29.17 67.76 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 21.5 m -74.45 -39.56 62.46 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.659 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.01 -19.11 48.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.494 -0.754 . . . . 0.0 109.268 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -99.53 32.84 2.66 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.196 -0.94 . . . . 0.0 109.053 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.085 -1.009 . . . . 0.0 110.365 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 85.1 p -63.31 -24.87 68.05 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.397 -0.815 . . . . 0.0 109.515 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.537 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 32.9 m-85 -71.13 -19.67 62.41 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.26 -7.17 54.32 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 29.5 p-10 -49.94 -43.77 50.06 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.237 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.496 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 1.2 m -151.84 89.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.876 -1.14 . . . . 0.0 109.041 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.97 111.89 5.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.937 . . . . 0.0 109.738 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.701 ' N ' ' O ' ' B' ' 84' ' ' ALA . 45.0 mmtm -79.83 -69.97 0.55 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.89 90.19 7.35 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 122.276 1.036 . . . . 0.0 109.995 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.85 62.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.59 -39.17 77.47 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.78 -0.575 . . . . 0.0 109.842 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.74 64.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -39.07 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.43 -41.24 93.58 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.575 0.703 . . . . 0.0 110.196 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.58 -41.6 97.63 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.11 -0.994 . . . . 0.0 109.783 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.41 HD11 HG21 ' B' ' 57' ' ' ILE . 75.0 mt -60.14 -40.65 84.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.472 -0.768 . . . . 0.0 109.363 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -56.87 -35.55 69.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.129 -0.982 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.46 -40.5 91.43 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 110.567 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.62 -39.19 91.21 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.731 -1.231 . . . . 0.0 110.637 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 17.3 mt -69.47 -26.77 64.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.707 -1.245 . . . . 0.0 110.913 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -88.06 -37.95 15.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.672 -1.268 . . . . 0.0 110.501 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.59 0.71 . . . . 0.0 109.425 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' B' ' 67' ' ' GLY . 24.1 m120 -145.94 45.41 1.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.85 -32.39 18.38 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -86.19 -1.67 57.66 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -65.39 -150.24 0.08 OUTLIER Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -152.52 156.62 39.75 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.346 1.07 . . . . 0.0 111.071 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -134.42 153.51 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 14.7 m-20 -127.63 -158.0 0.85 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.717 0.77 . . . . 0.0 109.455 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 34.5 p90 -60.53 -49.44 77.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.898 -0.502 . . . . 0.0 111.882 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.692 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 65.4 tt0 -70.42 -26.49 63.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.336 -1.478 . . . . 0.0 109.364 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.538 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 43.0 mt-10 -81.67 -39.49 24.29 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.298 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.489 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -69.12 -38.8 79.06 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.458 0.646 . . . . 0.0 109.352 179.138 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -73.63 -41.16 55.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.276 -0.89 . . . . 0.0 110.862 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.4 t -70.3 -39.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.84 -38.44 76.52 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.849 -0.532 . . . . 0.0 110.219 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.78 -40.62 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.751 -1.218 . . . . 0.0 108.734 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.02 88.42 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.9 85.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.427 HD23 ' HZ1' ' B' ' 34' ' ' LYS . 86.9 mt -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.431 -1.418 . . . . 0.0 108.999 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -60.37 -36.97 79.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.439 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.425 HG11 ' N ' ' B' ' 84' ' ' ALA . 0.3 OUTLIER -59.86 -39.02 78.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.701 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -60.9 -24.27 65.86 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 121.07 -1.019 . . . . 0.0 109.569 -179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.681 ' C ' ' H ' ' B' ' 87' ' ' ASN . 22.9 t -144.93 61.83 1.31 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.517 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 7.5 p-10 -67.88 35.44 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.681 ' H ' ' C ' ' B' ' 85' ' ' CYS . 0.0 OUTLIER -59.98 143.28 52.16 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.95 -178.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' B' ' 86' ' ' ASN . 97.3 m-85 -123.51 -45.13 2.08 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.761 -0.587 . . . . 0.0 109.593 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -93.74 -25.93 17.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.534 -0.729 . . . . 0.0 110.248 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.433 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 5.7 m-90 -85.13 28.93 0.68 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.903 -1.123 . . . . 0.0 110.071 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.04 141.56 47.64 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.843 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -68.31 138.88 55.81 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.273 -0.892 . . . . 0.0 109.043 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.699 -179.668 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.508 2.563 . . . . 0.0 119.508 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.793 ' CB ' ' HG3' ' B' ' 40' ' ' GLU . 19.8 m -85.35 166.02 16.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -1.117 . . . . 0.0 109.083 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -60.18 -49.83 76.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.914 -1.116 . . . . 0.0 110.55 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 69.5 mt -73.53 -40.84 63.7 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.766 -1.209 . . . . 0.0 110.495 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.731 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 87.6 tt0 -61.96 -41.97 98.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.006 -1.059 . . . . 0.0 110.339 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.5 m -62.85 -40.03 96.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 111.064 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.1 76.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.992 -1.068 . . . . 0.0 111.176 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 tpt -59.98 -43.32 95.19 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.22 -39.94 88.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.022 -1.049 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -39.02 84.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.643 . . . . 0.0 110.275 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 110.114 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.94 -46.08 94.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.889 -1.132 . . . . 0.0 110.098 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.04 -40.88 95.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 111.708 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG1' HD23 ' B' ' 4' ' ' LEU . 79.1 t -60.82 -40.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 120.359 -1.463 . . . . 0.0 110.953 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.96 -33.35 64.7 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 20' ' ' GLY . 42.8 t-80 -57.86 -31.68 66.93 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.86 39.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.3 -41.0 64.07 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.894 -1.129 . . . . 0.0 110.807 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 3.4 m -103.67 19.89 19.01 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.962 -1.086 . . . . 0.0 111.053 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -57.8 -4.67 1.63 Allowed Glycine 0 N--CA 1.486 2.01 0 C-N-CA 118.396 -1.859 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 19' ' ' SER . 75.2 mttt -71.91 128.82 36.95 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' GLY . 86.1 tt0 -56.18 -23.87 37.87 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . -47.96 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -102.21 100.31 10.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.38 -1.07 . . . . 0.0 109.691 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 26' ' ' TYR . 97.6 mttt -70.08 -28.54 65.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.928 -1.108 . . . . 0.0 109.086 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' LYS . 84.7 m-85 -47.85 173.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.537 -0.727 . . . . 0.0 109.047 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' O ' ' OG ' ' A' ' 19' ' ' SER . 26.7 tptt -54.21 -76.85 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.666 -1.271 . . . . 0.0 108.898 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -171.31 -178.86 2.48 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.369 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' LEU . 4.3 m -70.04 155.28 40.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.467 -1.396 . . . . 0.0 109.622 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -59.9 -45.16 93.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLY . 41.8 tptt -70.13 -41.61 73.68 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.15 -0.969 . . . . 0.0 109.29 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -69.97 -37.67 75.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 108.922 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.0 tm? -55.24 -44.62 75.68 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.063 -1.023 . . . . 0.0 109.353 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -66.63 -47.85 71.3 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.415 -1.428 . . . . 0.0 112.41 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 60.7 t0 -60.16 -40.09 88.69 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.444 -1.41 . . . . 0.0 110.047 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.77 -54.6 15.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.686 -0.634 . . . . 0.0 112.468 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.25 -39.97 74.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.636 -1.29 . . . . 0.0 111.722 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.47 -29.06 67.55 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.682 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -79.05 -43.69 23.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.803 ' HG3' ' CB ' ' B' ' 2' ' ' SER . 80.4 tt0 -60.34 -39.33 86.71 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 44' ' ' PHE . 41.7 mt -89.83 37.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -48.11 -38.6 18.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 109.578 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 46' ' ' ASP . 27.6 t -56.81 -16.22 6.19 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.505 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 16.6 t80 -50.89 -38.6 50.65 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.61 -11.7 54.65 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 15.2 p-10 -58.12 -42.82 86.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.447 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 6.7 m -159.43 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.242 -0.911 . . . . 0.0 110.174 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 9.3 pt20 -69.06 116.31 9.36 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.8 mmmp? -90.61 -80.12 0.34 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.382 -0.824 . . . . 0.0 110.526 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.62 101.09 11.91 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.034 -1.041 . . . . 0.0 110.276 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.56 60.83 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.97 -40.03 75.61 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.05 61.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.229 -0.919 . . . . 0.0 108.757 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.92 -36.4 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.0 -41.3 91.79 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 121.525 -0.734 . . . . 0.0 109.471 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.6 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.38 -0.825 . . . . 0.0 109.115 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.0 -43.39 92.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.731 -0.606 . . . . 0.0 110.965 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.0 mmt -60.55 -29.84 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 109.392 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -64.6 -40.06 94.83 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.36 -40.15 89.6 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.823 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 65' ' ' GLY . 4.6 mt -72.97 -26.9 61.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.928 -1.107 . . . . 0.0 109.181 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.93 -40.02 75.77 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.13 -39.85 87.72 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' ND2' ' CA ' ' A' ' 67' ' ' GLY . 64.0 t30 -154.24 70.81 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.95 -31.85 73.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 31.4 p-10 -84.58 0.59 49.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.996 . . . . 0.0 109.229 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' CA ' ' ND2' ' A' ' 64' ' ' ASN . . . -61.38 -149.71 0.01 OUTLIER Glycine 0 N--CA 1.48 1.569 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.31 159.84 43.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.467 -1.019 . . . . 0.0 110.153 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.59 148.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 27.1 t0 -122.31 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.125 -0.985 . . . . 0.0 110.228 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -60.56 -49.14 78.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.586 -0.696 . . . . 0.0 111.355 -178.062 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.617 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 tm0? -70.25 -28.31 65.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.887 -1.133 . . . . 0.0 110.072 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 39.6 mt-10 -80.78 -35.14 33.56 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.288 -0.882 . . . . 0.0 108.695 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 7.5 t80 -69.44 -39.12 78.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 109.185 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.568 ' CG1' HG13 ' B' ' 75' ' ' VAL . 53.2 t -75.1 -40.37 44.45 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.072 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.341 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.48 -40.92 64.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 121.312 -0.867 . . . . 0.0 110.503 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.13 -39.9 68.47 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.491 -0.755 . . . . 0.0 110.384 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.3 t -69.58 -39.37 78.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.82 83.65 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.91 -23.34 63.21 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.93 0.871 . . . . 0.0 108.863 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp -80.36 -35.98 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.647 -1.283 . . . . 0.0 109.488 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' CYS . 83.6 m -69.93 -39.7 75.96 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.018 -1.051 . . . . 0.0 109.656 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.4 p -57.11 -37.17 54.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.29 -23.66 67.52 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.636 ' O ' ' N ' ' A' ' 87' ' ' ASN . 48.6 t -145.15 64.92 1.26 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.13 68.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.708 0.766 . . . . 0.0 110.211 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' CYS . 98.4 m-20 -60.14 132.95 55.52 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -134.75 -90.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 90' ' ' TRP . 47.2 p90 -80.1 -10.13 59.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.81 -1.181 . . . . 0.0 108.955 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.6 m-90 -73.22 48.43 0.23 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.284 -0.885 . . . . 0.0 109.405 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.76 138.86 58.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.234 -0.916 . . . . 0.0 109.381 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.4 129.96 40.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.67 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.392 179.867 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.88 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.803 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 19.6 m -85.53 166.11 16.55 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -1.15 . . . . 0.0 109.059 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -59.98 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.047 -1.033 . . . . 0.0 110.655 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.484 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 68.7 mt -73.48 -41.04 63.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.779 -1.201 . . . . 0.0 110.476 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.718 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 86.4 tt0 -61.38 -42.32 98.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.98 -1.075 . . . . 0.0 110.475 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.71 -40.05 95.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.01 77.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 111.184 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.92 -43.62 94.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.912 -1.117 . . . . 0.0 110.506 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -40.1 88.21 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.971 -1.081 . . . . 0.0 109.282 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.614 -0.679 . . . . 0.0 110.152 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.73 -40.03 86.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.118 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -45.95 95.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.881 -1.137 . . . . 0.0 110.13 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.25 -40.66 94.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.017 -1.052 . . . . 0.0 111.682 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.474 ' CG1' HD22 ' A' ' 4' ' ' LEU . 67.4 t -61.1 -39.93 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.342 -1.474 . . . . 0.0 110.9 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -55.9 -33.32 64.53 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' B' ' 20' ' ' GLY . 43.0 t-80 -57.76 -31.91 66.96 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -61.1 -54.48 44.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.45 -40.86 63.85 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.85 -1.156 . . . . 0.0 110.866 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 3.4 m -103.73 19.84 19.15 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.928 -1.107 . . . . 0.0 111.165 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -57.39 -4.95 1.44 Allowed Glycine 0 N--CA 1.486 1.972 0 C-N-CA 118.605 -1.76 . . . . 0.0 109.743 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' B' ' 19' ' ' SER . 79.9 mttt -71.73 128.95 37.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' B' ' 23' ' ' GLY . 86.4 tt0 -56.54 -23.84 42.8 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . -47.84 -90.93 0.01 OUTLIER Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.63 -1.788 . . . . 0.0 108.63 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -102.15 100.53 10.76 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.251 -1.146 . . . . 0.0 109.716 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 26' ' ' TYR . 97.7 mttt -70.04 -28.78 65.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.915 -1.116 . . . . 0.0 109.199 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.435 ' O ' ' O ' ' B' ' 25' ' ' LYS . 83.8 m-85 -47.96 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.45 -0.781 . . . . 0.0 109.122 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' O ' ' OG ' ' B' ' 19' ' ' SER . 27.0 tptt -54.07 -77.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.431 -1.308 . . . . 0.0 109.021 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 tp -171.1 -178.52 2.47 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.407 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 33' ' ' LEU . 4.2 m -70.42 155.33 40.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.399 -1.438 . . . . 0.0 109.625 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.03 -44.81 94.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.972 -1.08 . . . . 0.0 108.785 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' GLY . 42.8 tptt -70.16 -41.89 73.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.276 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -69.94 -37.44 75.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.476 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.1 tm? -55.43 -44.6 76.44 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.083 -1.01 . . . . 0.0 109.268 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -66.43 -48.25 70.6 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.454 -1.404 . . . . 0.0 112.329 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 61.0 t0 -60.19 -40.0 88.47 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.46 -1.4 . . . . 0.0 110.08 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.85 -54.4 15.89 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.637 -0.664 . . . . 0.0 112.446 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.42 -39.85 74.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.601 -1.312 . . . . 0.0 111.676 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -59.66 -28.82 67.59 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 119.368 -0.933 . . . . 0.0 108.7 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -79.04 -43.65 23.81 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.793 ' HG3' ' CB ' ' A' ' 2' ' ' SER . 78.9 tt0 -60.36 -39.29 86.66 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 44' ' ' PHE . 44.6 mt -89.99 37.49 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.2 t -47.97 -39.27 18.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.787 . . . . 0.0 109.577 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 27.2 t -56.74 -16.05 5.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 15.8 t80 -51.03 -38.82 53.75 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.97 -12.24 53.47 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 15.2 p-10 -57.98 -43.03 86.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.093 -1.004 . . . . 0.0 109.628 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.574 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 6.9 m -159.22 93.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.939 . . . . 0.0 110.114 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' B' ' 48' ' ' GLN . 8.8 pt20 -69.16 116.17 9.3 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' B' ' 84' ' ' ALA . 1.7 mmmp? -90.83 -80.0 0.35 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.424 -0.797 . . . . 0.0 110.461 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.47 101.21 12.09 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.083 -1.01 . . . . 0.0 110.185 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.68 -16.54 60.76 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.688 -0.633 . . . . 0.0 109.391 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.2 60.63 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.276 -0.89 . . . . 0.0 108.836 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -36.48 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -41.15 91.87 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.579 -0.7 . . . . 0.0 109.335 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.76 -39.99 95.6 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.903 0.859 . . . . 0.0 109.103 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.13 -43.08 92.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.611 -0.681 . . . . 0.0 111.009 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.73 -29.8 69.59 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.79 -40.03 94.58 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.508 -0.745 . . . . 0.0 110.291 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.34 -40.04 89.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.692 -1.255 . . . . 0.0 110.844 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 65' ' ' GLY . 4.6 mt -73.0 -26.88 61.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.928 -1.107 . . . . 0.0 109.11 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.1 -40.04 75.18 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.88 -40.1 87.53 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 64.1 t30 -154.16 70.59 0.81 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.95 -31.49 72.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 29.8 p-10 -84.79 0.49 50.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.447 -1.031 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.435 ' CA ' ' ND2' ' B' ' 64' ' ' ASN . . . -61.68 -149.43 0.02 OUTLIER Glycine 0 N--CA 1.481 1.647 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.25 159.9 43.12 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.478 -1.013 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.58 148.21 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 26.9 t0 -122.36 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.1 p90 -60.53 -49.22 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.591 -0.693 . . . . 0.0 111.37 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 9.7 tm0? -70.1 -28.54 65.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.899 -1.126 . . . . 0.0 110.096 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.474 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 37.8 mt-10 -80.82 -34.75 33.69 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.11 -0.994 . . . . 0.0 108.724 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 6.2 t80 -69.89 -38.93 76.48 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.844 0.83 . . . . 0.0 109.171 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.568 HG13 ' CG1' ' A' ' 75' ' ' VAL . 50.3 t -75.24 -40.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.062 0 O-C-N 121.51 -0.744 . . . . 0.0 111.378 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.62 -40.74 62.71 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.144 -0.973 . . . . 0.0 110.565 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.28 -39.67 68.17 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 110.273 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.99 -38.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.77 84.08 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.465 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -70.06 -23.66 63.12 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.787 0.803 . . . . 0.0 108.886 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 tp -79.97 -35.94 36.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 109.429 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' C ' ' B' ' 85' ' ' CYS . 86.4 m -70.03 -39.92 75.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.965 -1.085 . . . . 0.0 109.613 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.465 HG13 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -56.55 -37.58 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.08 -23.48 67.46 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' B' ' 87' ' ' ASN . 48.6 t -145.6 64.74 1.24 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.04 67.92 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.714 0.768 . . . . 0.0 110.184 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.63 ' N ' ' O ' ' B' ' 85' ' ' CYS . 98.3 m-20 -59.95 133.13 55.8 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -134.69 -90.83 0.33 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' B' ' 90' ' ' TRP . 47.5 p90 -80.12 -9.98 59.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.79 -1.194 . . . . 0.0 108.995 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.537 ' CE2' ' CZ ' ' B' ' 89' ' ' PHE . 4.7 m-90 -73.23 47.98 0.22 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.135 -0.978 . . . . 0.0 109.469 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.42 139.39 58.76 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.286 -0.884 . . . . 0.0 109.526 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.473 ' C ' ' HG ' ' B' ' 93' ' ' SER . 1.3 t-20 -72.11 130.2 40.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.649 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.473 ' HG ' ' C ' ' B' ' 92' ' ' ASN . 70.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.403 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.967 0 N-CA-C 119.548 2.579 . . . . 0.0 119.548 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.952 ' CB ' ' OE2' ' B' ' 40' ' ' GLU . 72.2 p -81.19 164.43 22.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -1.114 . . . . 0.0 109.378 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.0 mp0 -60.31 -40.24 89.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.928 . . . . 0.0 109.956 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.679 ' HG ' ' CD2' ' B' ' 37' ' ' LEU . 2.8 mm? -78.39 -51.88 9.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.068 -1.02 . . . . 0.0 110.58 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.97 -39.92 87.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.28 -0.888 . . . . 0.0 109.416 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 2' ' ' SER . 94.4 m -60.01 -39.97 87.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.217 -0.927 . . . . 0.0 109.929 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.69 89.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.236 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.444 ' HE2' ' OG1' ' B' ' 82' ' ' THR . 0.1 OUTLIER -61.12 -39.76 91.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.098 -1.001 . . . . 0.0 109.468 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.97 -39.42 85.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 0.0 109.316 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -59.79 -37.58 79.52 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 80.0 mt -58.28 -36.38 73.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.443 -0.786 . . . . 0.0 109.305 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mm -60.05 -40.09 82.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 120.978 -1.077 . . . . 0.0 108.816 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.15 -28.47 65.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.186 -0.946 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.871 -1.143 . . . . 0.0 110.411 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' SER . 10.0 m-85 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.509 -0.745 . . . . 0.0 109.165 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.09 -39.25 85.48 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.89 4.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.317 -0.864 . . . . 0.0 112.527 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.26 -0.01 33.66 Favored 'General case' 0 N--CA 1.514 2.739 0 O-C-N 120.725 -1.234 . . . . 0.0 112.05 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.5 m -139.19 12.41 2.6 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.613 -1.305 . . . . 0.0 109.864 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' A' ' 22' ' ' GLU . . . -80.38 9.62 47.91 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 23' ' ' GLY . 79.4 tttt -58.4 -9.76 1.75 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.224 -1.162 . . . . 0.0 108.308 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 20' ' ' GLY . 61.6 tt0 72.96 -15.63 0.51 Allowed 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.865 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -78.59 -70.32 1.32 Allowed Glycine 0 N--CA 1.489 2.189 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -99.83 95.01 6.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -1.012 . . . . 0.0 108.331 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.31 -39.93 77.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.413 -0.804 . . . . 0.0 109.6 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.8 p90 -54.16 165.61 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 26' ' ' TYR . 43.9 tptt -50.76 -91.79 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.62 -1.3 . . . . 0.0 109.667 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 176.41 -176.27 0.12 Allowed 'General case' 0 N--CA 1.511 2.625 0 O-C-N 120.916 -1.115 . . . . 0.0 110.667 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -49.3 144.55 5.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.684 -1.26 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm -62.49 -42.04 99.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.481 -0.762 . . . . 0.0 112.2 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -62.91 -42.14 99.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.362 -1.461 . . . . 0.0 110.285 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.66 -31.35 68.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.055 -1.028 . . . . 0.0 109.364 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.1 tm? -59.99 -43.73 94.97 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 109.281 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.635 ' HZ3' ' CE ' ' A' ' 58' ' ' MET . 3.9 tmtp? -66.22 -53.03 42.0 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.721 -1.237 . . . . 0.0 112.123 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.01 84.63 Favored 'General case' 0 C--N 1.289 -2.039 0 O-C-N 120.634 -1.291 . . . . 0.0 110.113 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.59 -56.46 15.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.562 -0.711 . . . . 0.0 112.229 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.672 ' CD2' ' HG ' ' B' ' 4' ' ' LEU . 87.7 mt -75.62 -35.82 60.38 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.396 -1.44 . . . . 0.0 112.366 -177.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.3 -32.83 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 120.869 -1.144 . . . . 0.0 108.376 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.9 m -73.65 -41.18 63.06 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.072 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.949 ' OE2' ' CB ' ' B' ' 2' ' ' SER . 33.0 tp10 -69.95 -38.56 76.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -0.818 . . . . 0.0 108.899 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.4 mt -87.36 34.15 0.69 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -60.17 -39.98 88.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.639 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 92' ' ' ASN . 39.6 t -58.61 -30.33 67.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.111 -0.993 . . . . 0.0 108.431 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.4 m-85 -69.74 -34.95 74.54 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.34 -1.5 4.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 44' ' ' PHE . 57.8 t0 -59.98 -42.61 94.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.0 108.915 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.451 ' CG2' HD21 ' A' ' 87' ' ' ASN . 2.5 m -150.65 87.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.234 -0.917 . . . . 0.0 109.714 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -68.93 117.86 11.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.176 -0.952 . . . . 0.0 108.931 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 84' ' ' ALA . 67.1 mmtt -80.01 -69.88 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -98.35 87.78 3.97 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.167 0.984 . . . . 0.0 108.371 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.55 64.83 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -68.28 -39.74 82.04 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.59 77.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.978 -1.076 . . . . 0.0 108.356 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -35.53 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.9 -40.01 91.48 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.784 -0.572 . . . . 0.0 111.266 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 4.1 mptp? -67.76 -40.03 84.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.957 -1.09 . . . . 0.0 109.664 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.95 -41.51 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.635 ' CE ' ' HZ3' ' A' ' 34' ' ' LYS . 37.6 mtt -63.0 -25.82 68.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -60.36 -40.78 91.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 110.629 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 50.4 mp0 -70.39 -39.78 74.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -72.09 -23.63 61.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.045 -1.034 . . . . 0.0 110.162 -178.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.58 -30.24 18.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.587 -1.321 . . . . 0.0 109.257 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -83.59 -25.59 30.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.551 -0.718 . . . . 0.0 109.464 -179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' OD1' ' OE2' ' A' ' 63' ' ' GLU . 7.0 m120 -139.66 37.74 2.02 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.98 -29.16 13.82 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -79.02 -5.04 52.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.409 -1.053 . . . . 0.0 109.38 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.86 -160.64 9.54 Favored Glycine 0 N--CA 1.475 1.261 0 N-CA-C 108.669 -1.773 . . . . 0.0 108.669 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.44 159.99 41.38 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.605 -0.938 . . . . 0.0 110.132 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -129.07 149.35 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 27.5 t0 -120.95 -161.8 0.92 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.418 -0.801 . . . . 0.0 109.994 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -60.06 -48.42 81.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.355 -0.84 . . . . 0.0 111.745 -177.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.806 ' OE1' ' HB ' ' B' ' 83' ' ' VAL . 62.1 tt0 -70.01 -29.15 66.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 109.49 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 27.1 mt-10 -77.36 -39.78 46.24 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.371 -0.831 . . . . 0.0 109.458 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -35.0 74.17 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.493 -0.754 . . . . 0.0 109.116 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.437 ' CG1' ' HB1' ' B' ' 79' ' ' ALA . 46.2 t -73.39 -40.6 56.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.648 -0.657 . . . . 0.0 110.873 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.6 t -71.58 -40.07 70.78 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.523 -0.736 . . . . 0.0 110.254 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -70.7 -40.18 73.01 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.71 -0.619 . . . . 0.0 110.7 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.05 -40.05 66.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.642 -0.662 . . . . 0.0 110.054 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.11 89.87 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 tt -60.58 -40.15 90.67 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.893 -1.13 . . . . 0.0 109.789 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.455 ' OG1' ' HE2' ' B' ' 8' ' ' MET . 58.8 m -60.01 -39.83 87.16 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.062 -1.023 . . . . 0.0 109.388 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.834 ' HB ' ' OE1' ' B' ' 72' ' ' GLN . 1.3 p -53.8 -33.39 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 108.869 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -67.43 -21.61 65.56 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.619 ' C ' ' H ' ' A' ' 87' ' ' ASN . 32.2 t -139.69 57.98 1.62 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -70.78 18.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.65 -1.281 . . . . 0.0 108.922 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.619 ' H ' ' C ' ' A' ' 85' ' ' CYS . 31.8 p-10 -58.49 131.26 50.22 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.119 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 89' ' ' PHE . 50.0 p90 -110.1 -39.26 5.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.146 -0.971 . . . . 0.0 108.651 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 55.9 t80 -69.92 -39.06 76.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.545 -0.722 . . . . 0.0 109.824 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -88.95 43.47 1.15 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.075 -1.016 . . . . 0.0 110.525 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -94.71 108.61 20.6 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.475 ' N ' ' OG ' ' A' ' 43' ' ' SER . 29.4 m120 -79.53 154.58 28.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.045 -1.034 . . . . 0.0 109.544 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 117.905 -1.045 . . . . 0.0 109.289 -179.698 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.262 2.465 . . . . 0.0 119.262 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.949 ' CB ' ' OE2' ' A' ' 40' ' ' GLU . 67.4 p -81.15 164.49 22.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -1.139 . . . . 0.0 109.419 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 56.3 mp0 -60.56 -39.99 89.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 110.012 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.672 ' HG ' ' CD2' ' A' ' 37' ' ' LEU . 3.1 mm? -78.53 -51.64 9.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 110.659 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.274 -0.891 . . . . 0.0 109.428 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 2' ' ' SER . 94.3 m -60.09 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.902 . . . . 0.0 109.74 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.936 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.455 ' HE2' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -60.64 -39.86 89.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.97 -39.48 85.83 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.275 -0.891 . . . . 0.0 109.472 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.75 -37.51 79.17 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.412 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 76.8 mt -58.67 -36.18 73.75 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.081 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.94 -40.14 82.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.838 -1.164 . . . . 0.0 108.817 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -70.03 -28.4 65.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.171 -0.955 . . . . 0.0 110.735 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.13 -49.31 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.789 -1.194 . . . . 0.0 110.503 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' B' ' 19' ' ' SER . 10.1 m-85 -68.9 -27.3 65.65 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.408 -0.808 . . . . 0.0 109.112 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.11 -38.91 84.42 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.39 -58.08 4.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.118 -0.989 . . . . 0.0 112.367 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -101.89 -0.17 34.44 Favored 'General case' 0 N--CA 1.514 2.765 0 O-C-N 120.7 -1.25 . . . . 0.0 112.201 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.431 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.5 m -139.08 12.87 2.63 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.688 -1.258 . . . . 0.0 109.892 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' B' ' 22' ' ' GLU . . . -80.84 9.29 53.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' B' ' 23' ' ' GLY . 78.3 tttt -57.65 -10.09 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.153 -1.204 . . . . 0.0 108.265 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' B' ' 20' ' ' GLY . 61.5 tt0 73.31 -15.73 0.53 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.818 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -78.62 -70.56 1.31 Allowed Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -99.41 94.91 6.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -1.025 . . . . 0.0 108.418 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.26 -39.88 78.15 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 109.568 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 37.0 p90 -54.17 165.74 0.47 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' B' ' 26' ' ' TYR . 43.3 tptt -50.77 -91.44 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.539 -1.351 . . . . 0.0 109.637 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 176.09 -176.3 0.12 Allowed 'General case' 0 N--CA 1.514 2.726 0 O-C-N 120.876 -1.14 . . . . 0.0 110.657 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -49.07 144.83 4.54 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.727 -1.233 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.402 -0.811 . . . . 0.0 112.219 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.9 -41.94 99.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.361 -1.462 . . . . 0.0 110.296 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.77 -31.45 68.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.072 -1.018 . . . . 0.0 109.391 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.1 tm? -59.79 -43.95 94.16 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.967 -1.083 . . . . 0.0 109.377 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.438 ' HZ2' ' HG2' ' B' ' 58' ' ' MET . 3.9 tmtp? -66.15 -53.07 42.16 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.725 -1.234 . . . . 0.0 112.164 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.89 -39.06 84.07 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 120.577 -1.327 . . . . 0.0 110.083 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.76 -56.3 16.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.547 -0.72 . . . . 0.0 112.2 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.679 ' CD2' ' HG ' ' A' ' 4' ' ' LEU . 90.2 mt -75.58 -36.2 60.42 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.297 -1.502 . . . . 0.0 112.419 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -53.17 -32.74 49.36 Favored 'General case' 0 C--N 1.284 -2.25 0 O-C-N 121.052 -1.03 . . . . 0.0 108.325 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 71.9 m -73.58 -41.15 63.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.488 -0.758 . . . . 0.0 108.992 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.952 ' OE2' ' CB ' ' A' ' 2' ' ' SER . 32.5 tp10 -70.1 -38.67 75.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 108.896 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 70.3 mt -87.2 34.05 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.824 . . . . 0.0 110.765 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' B' ' 92' ' ' ASN . 36.8 t -58.65 -30.64 67.47 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 47.2 m-85 -69.74 -34.42 73.82 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.85 -1.57 5.77 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' B' ' 44' ' ' PHE . 58.7 t0 -59.84 -42.59 93.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 108.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.427 ' CG2' HD21 ' B' ' 87' ' ' ASN . 2.6 m -150.79 87.47 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.0 109.828 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -68.97 117.92 11.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 108.857 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' B' ' 84' ' ' ALA . 67.6 mmtt -80.09 -70.01 0.55 Allowed 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -98.25 87.56 3.94 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 122.062 0.934 . . . . 0.0 108.518 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.0 -19.21 64.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -68.57 -39.72 80.88 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.45 77.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.037 -1.039 . . . . 0.0 108.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -35.55 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -61.01 -40.05 92.09 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.433 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 4.1 mptp? -67.78 -39.7 84.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.791 -1.193 . . . . 0.0 109.672 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.02 -41.41 86.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.438 ' HG2' ' HZ2' ' B' ' 34' ' ' LYS . 37.4 mtt -63.26 -25.59 68.39 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.23 -0.918 . . . . 0.0 109.376 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -60.74 -40.27 91.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.289 -0.882 . . . . 0.0 110.652 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 50.8 mp0 -70.69 -39.62 73.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.764 -1.21 . . . . 0.0 111.003 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.49 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 0.4 OUTLIER -72.21 -23.64 61.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.077 -1.015 . . . . 0.0 110.05 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.54 -30.33 18.29 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.576 -1.327 . . . . 0.0 109.271 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -83.44 -25.75 30.95 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.441 -0.787 . . . . 0.0 109.426 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.451 ' OD1' ' OE2' ' B' ' 63' ' ' GLU . 7.2 m120 -139.65 37.91 2.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -29.83 15.08 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -78.15 -5.32 51.32 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.407 -1.054 . . . . 0.0 109.463 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.92 -160.33 9.36 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -143.6 159.85 41.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.662 -0.905 . . . . 0.0 110.134 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.88 149.48 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 27.8 t0 -121.06 -161.91 0.93 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.441 -0.787 . . . . 0.0 109.962 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -60.0 -48.33 82.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.358 -0.839 . . . . 0.0 111.853 -177.318 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.834 ' OE1' ' HB ' ' A' ' 83' ' ' VAL . 60.4 tt0 -70.02 -28.99 65.93 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.674 -1.266 . . . . 0.0 109.386 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.452 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 26.9 mt-10 -77.56 -39.72 44.88 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.293 -0.879 . . . . 0.0 109.443 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -35.09 74.14 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.506 -0.746 . . . . 0.0 109.113 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.24 -40.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 CA-C-O 121.427 0.632 . . . . 0.0 110.763 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -71.6 -40.01 70.51 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.488 -0.758 . . . . 0.0 110.387 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 tt -70.63 -39.94 73.39 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.597 -0.689 . . . . 0.0 110.699 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.37 -40.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.606 -0.684 . . . . 0.0 109.915 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.437 ' HB1' ' CG1' ' A' ' 75' ' ' VAL . . . -63.16 -37.97 89.31 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.451 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.14 -39.95 92.01 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.889 -1.132 . . . . 0.0 109.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.444 ' OG1' ' HE2' ' A' ' 8' ' ' MET . 53.7 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.006 -1.059 . . . . 0.0 109.373 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.806 ' HB ' ' OE1' ' A' ' 72' ' ' GLN . 1.1 p -53.47 -33.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.224 -0.923 . . . . 0.0 108.803 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.614 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -67.26 -21.48 65.72 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.636 ' C ' ' H ' ' B' ' 87' ' ' ASN . 32.7 t -140.1 57.95 1.6 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -70.96 19.35 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.67 -1.269 . . . . 0.0 108.818 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.636 ' H ' ' C ' ' B' ' 85' ' ' CYS . 31.5 p-10 -58.76 131.6 51.41 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.648 -0.658 . . . . 0.0 109.944 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' B' ' 89' ' ' PHE . 50.2 p90 -110.35 -39.31 4.99 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.289 -0.882 . . . . 0.0 108.683 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' B' ' 88' ' ' PHE . 56.3 t80 -70.01 -38.6 75.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 0.0 110.006 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 12.0 m-90 -89.23 43.73 1.17 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.194 -0.941 . . . . 0.0 110.41 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -95.27 107.96 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' B' ' 43' ' ' SER . 28.8 m120 -78.49 154.6 30.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.955 . . . . 0.0 109.672 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.341 -179.529 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.826 0 N-CA-C 119.641 2.616 . . . . 0.0 119.641 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -92.55 -0.2 57.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.109 -1.23 . . . . 0.0 110.041 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 38.7 mp0 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.049 -1.032 . . . . 0.0 108.717 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.716 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 31.3 mt -69.19 -39.99 78.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.568 -0.708 . . . . 0.0 109.439 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 88.7 tt0 -65.15 -39.97 93.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.75 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 110.0 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.63 94.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.213 -0.929 . . . . 0.0 110.167 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.4 mmm -59.99 -38.88 83.87 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.156 -0.965 . . . . 0.0 109.976 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.462 -1.399 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -63.08 -37.94 89.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.425 -0.797 . . . . 0.0 108.961 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.429 -0.794 . . . . 0.0 109.332 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.15 -45.04 96.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.021 -1.049 . . . . 0.0 109.793 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.25 -45.7 92.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 112.005 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.65 -38.49 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.707 -1.246 . . . . 0.0 110.539 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.02 -39.62 82.47 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 20' ' ' GLY . 38.4 t-80 -60.01 -33.93 72.66 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.76 -0.588 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.96 -54.84 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.942 -1.099 . . . . 0.0 110.437 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -74.39 -40.37 62.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.722 -1.236 . . . . 0.0 110.397 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -80.05 -19.06 48.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -60.01 -40.12 96.58 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.268 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -76.67 -9.08 58.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.948 -1.324 . . . . 0.0 109.516 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -84.24 130.0 34.85 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.45 58.33 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -88.45 125.05 34.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.368 -1.078 . . . . 0.0 108.512 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.04 -29.27 68.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.632 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 4.0 m-85 -50.0 164.21 0.12 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' NZ ' ' CE2' ' A' ' 74' ' ' PHE . 27.4 tptt -49.89 -89.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.704 -1.247 . . . . 0.0 108.78 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -179.8 -178.12 0.43 Allowed 'General case' 0 N--CA 1.512 2.641 0 O-C-N 120.877 -1.139 . . . . 0.0 111.738 178.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -53.25 148.86 7.89 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.426 -0.796 . . . . 0.0 111.181 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -60.09 -39.8 87.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.763 -0.586 . . . . 0.0 111.505 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.03 -42.56 94.63 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.983 -1.698 . . . . 0.0 108.566 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -48.61 -48.91 38.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.648 -0.658 . . . . 0.0 109.638 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -53.56 53.27 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.515 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -50.1 -29.94 10.0 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.355 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.08 -58.12 3.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 111.862 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -60.04 -51.54 69.18 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.505 -1.372 . . . . 0.0 110.713 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -57.81 -20.22 34.21 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.252 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.66 -34.9 16.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.442 -0.786 . . . . 0.0 110.825 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.886 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 9.7 pt-20 -81.57 -10.04 59.54 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.806 -1.184 . . . . 0.0 109.456 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.9 mt -108.13 45.32 1.02 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 8.3 t -45.35 -36.15 4.01 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.736 -1.228 . . . . 0.0 109.972 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 28.6 t -70.82 -14.41 62.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.99 -1.069 . . . . 0.0 109.88 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -58.94 -45.73 89.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.269 -1.52 . . . . 0.0 108.577 -179.452 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -65.47 -8.92 21.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.822 -1.174 . . . . 0.0 108.43 179.2 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 43' ' ' SER . 49.4 t0 -60.11 -40.06 88.38 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.228 -0.92 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 p -164.26 75.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 111.634 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.85 122.57 19.51 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.635 -1.291 . . . . 0.0 108.256 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 84' ' ' ALA . 29.1 mtpt -107.46 -46.03 3.94 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.576 -0.702 . . . . 0.0 111.222 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.07 100.06 10.87 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.87 -1.144 . . . . 0.0 110.521 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -18.47 55.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.73 -0.606 . . . . 0.0 109.915 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' NZ ' ' A' ' 56' ' ' LYS . 94.3 m-20 -70.02 -39.85 75.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.434 -0.792 . . . . 0.0 109.588 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.24 63.0 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.988 -1.07 . . . . 0.0 108.333 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -56.49 -39.0 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 48.3 t0 -60.1 -39.99 88.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -67.29 -39.91 86.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.928 -1.108 . . . . 0.0 109.001 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.97 -42.55 89.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.017 -1.052 . . . . 0.0 109.228 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mmt -63.8 -24.24 67.68 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.722 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.99 -39.92 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 0.0 110.816 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -72.75 -39.72 66.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.688 -1.257 . . . . 0.0 110.728 -178.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.31 -22.29 48.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.556 -1.34 . . . . 0.0 110.031 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.36 -36.17 22.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.918 . . . . 0.0 108.866 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -26.66 51.25 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.01 60.69 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.73 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -34.51 83.86 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.46 -0.98 35.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -1.147 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.99 -146.6 0.18 Allowed Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.4 159.54 39.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.27 -1.135 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -133.11 154.39 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.539 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 32.4 t0 -118.08 -164.15 0.99 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.325 -0.859 . . . . 0.0 109.659 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -59.99 -47.15 87.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.818 . . . . 0.0 111.129 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.577 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.2 tm0? -69.77 -32.91 71.67 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.179 -0.95 . . . . 0.0 109.649 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 79.0 mm-40 -69.97 -40.02 75.62 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 108.737 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.597 ' CE2' ' NZ ' ' A' ' 27' ' ' LYS . 22.0 t80 -67.12 -33.69 76.0 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.845 0.831 . . . . 0.0 109.305 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -74.18 -40.01 50.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.045 -1.034 . . . . 0.0 111.207 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.68 -45.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 O-C-N 121.638 -0.664 . . . . 0.0 110.916 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.14 -35.41 74.03 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 99.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.06 82.04 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.12 75.26 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.662 0.744 . . . . 0.0 109.2 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -42.1 83.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.766 -1.209 . . . . 0.0 108.361 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 5.3 m -62.31 -36.41 82.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.806 -1.183 . . . . 0.0 109.263 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 t -50.08 -31.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -60.98 -40.15 92.35 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.61 ' C ' ' H ' ' A' ' 87' ' ' ASN . 19.7 p -128.45 47.47 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.657 ' N ' HD21 ' A' ' 86' ' ' ASN . 0.0 OUTLIER -61.89 2.92 0.18 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.61 ' H ' ' C ' ' A' ' 85' ' ' CYS . 10.6 t-20 -55.11 118.06 4.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.673 -0.642 . . . . 0.0 110.107 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -80.37 -13.98 58.71 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' O ' ' N ' ' A' ' 91' ' ' GLU . 96.9 m-85 -90.88 6.02 46.2 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.568 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -59.89 46.42 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.759 -0.588 . . . . 0.0 111.526 -179.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 89' ' ' PHE . 86.1 tt0 -63.56 130.74 45.59 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.753 -1.217 . . . . 0.0 108.694 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -99.07 115.39 28.88 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.203 -0.936 . . . . 0.0 109.254 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.526 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.574 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.886 0 N-CA-C 119.59 2.596 . . . . 0.0 119.59 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -92.56 -0.19 57.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.191 -1.182 . . . . 0.0 109.972 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.999 -1.063 . . . . 0.0 108.697 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.764 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 28.4 mt -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.423 -0.798 . . . . 0.0 109.429 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.886 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 88.6 tt0 -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.79 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.33 -0.856 . . . . 0.0 109.918 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.64 94.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 110.228 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -60.08 -38.81 84.01 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.086 -1.009 . . . . 0.0 109.876 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.511 -1.368 . . . . 0.0 108.633 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.15 -37.96 89.28 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.01 -39.97 87.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.77 . . . . 0.0 109.356 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.25 -45.03 96.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.04 -1.037 . . . . 0.0 109.805 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.1 -45.9 91.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.275 -0.891 . . . . 0.0 111.953 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.43 -38.61 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.74 -1.225 . . . . 0.0 110.563 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.09 -39.59 82.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' B' ' 20' ' ' GLY . 38.3 t-80 -59.97 -34.13 72.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.811 -0.556 . . . . 0.0 109.859 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.9 -54.94 40.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.966 -1.084 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.3 -40.06 62.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.599 -1.313 . . . . 0.0 110.433 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 m -80.28 -19.1 47.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 110.788 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.95 -40.16 96.55 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.686 -1.245 . . . . 0.0 110.243 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -76.66 -9.08 58.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.968 -1.313 . . . . 0.0 109.561 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -84.26 130.04 34.84 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.33 58.89 Favored Glycine 0 N--CA 1.485 1.964 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -88.37 125.06 34.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -1.061 . . . . 0.0 108.496 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.04 -29.34 68.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.292 -0.88 . . . . 0.0 109.679 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 4.0 m-85 -49.87 164.12 0.11 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.595 ' NZ ' ' CE2' ' B' ' 74' ' ' PHE . 27.8 tptt -49.82 -89.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.624 -1.298 . . . . 0.0 108.738 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.545 ' N ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -179.73 -178.23 0.44 Allowed 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.879 -1.138 . . . . 0.0 111.704 178.719 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -53.05 148.96 7.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.366 -0.834 . . . . 0.0 111.276 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.06 -39.81 87.32 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.71 -0.619 . . . . 0.0 111.511 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.1 -42.51 94.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.055 -1.653 . . . . 0.0 108.555 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.26 -39.96 74.66 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -48.76 -48.67 40.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.705 -0.622 . . . . 0.0 109.733 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -53.38 55.55 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.496 -1.281 . . . . 0.0 110.471 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -50.09 -29.95 10.01 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 118.764 -1.175 . . . . 0.0 110.465 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.27 -58.0 3.54 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.177 -0.952 . . . . 0.0 111.884 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -59.99 -51.54 69.24 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.512 -1.368 . . . . 0.0 110.77 -178.463 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -57.88 -20.08 34.19 Favored 'General case' 0 C--N 1.28 -2.438 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.379 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.73 -34.75 16.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 0.0 110.755 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.871 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 9.7 pt-20 -81.73 -10.04 59.48 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.849 -1.157 . . . . 0.0 109.342 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.8 mt -108.13 45.31 1.03 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 8.3 t -45.41 -36.27 4.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.751 -1.218 . . . . 0.0 109.913 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 23.8 t -70.55 -14.48 62.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.984 -1.072 . . . . 0.0 109.872 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER -58.87 -45.9 89.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.318 -1.488 . . . . 0.0 108.631 -179.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.5 OUTLIER -65.36 -9.01 21.16 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.797 -1.189 . . . . 0.0 108.435 179.204 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' B' ' 43' ' ' SER . 49.1 t0 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.46 76.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.934 -1.104 . . . . 0.0 111.563 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.83 122.66 19.68 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 120.675 -1.265 . . . . 0.0 108.144 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' B' ' 84' ' ' ALA . 29.5 mtpt -107.59 -45.99 3.92 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.656 -0.652 . . . . 0.0 111.126 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.04 100.01 10.83 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.855 -1.153 . . . . 0.0 110.549 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.39 55.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.638 -0.663 . . . . 0.0 109.96 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.401 ' O ' ' NZ ' ' B' ' 56' ' ' LYS . 94.5 m-20 -70.04 -40.03 75.37 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.448 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -50.42 62.66 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 108.331 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.6 t -56.4 -39.0 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' B' ' 55' ' ' ASP . 47.9 t0 -60.13 -40.07 88.46 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -67.14 -40.0 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.866 -1.146 . . . . 0.0 109.013 -179.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.99 -42.57 90.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.061 -1.024 . . . . 0.0 109.257 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.7 -24.35 67.74 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.36 -0.837 . . . . 0.0 109.739 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.94 -40.04 83.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 110.776 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 0.9 OUTLIER -72.68 -39.85 66.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.625 -1.297 . . . . 0.0 110.78 -178.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.32 -22.28 48.36 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.601 -1.312 . . . . 0.0 110.026 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -84.37 -36.09 22.71 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.219 -0.925 . . . . 0.0 108.833 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -26.41 51.12 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.31 60.87 0.7 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.416 -0.803 . . . . 0.0 109.707 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.93 -34.97 85.41 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.1 -1.08 34.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -1.063 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.04 -146.75 0.19 Allowed Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -155.19 159.47 40.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 0.0 110.609 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.02 154.37 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 32.9 t0 -118.04 -164.05 0.99 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.341 -0.849 . . . . 0.0 109.664 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.0 p90 -60.12 -46.9 88.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.422 -0.799 . . . . 0.0 111.137 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.2 tm0? -70.02 -32.72 71.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.173 -0.954 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.467 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 79.5 mm-40 -70.06 -39.97 75.37 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.595 ' CE2' ' NZ ' ' B' ' 27' ' ' LYS . 21.9 t80 -67.31 -33.79 76.0 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.854 0.835 . . . . 0.0 109.295 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.99 -40.05 51.76 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.12 -0.988 . . . . 0.0 111.162 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.03 -44.87 74.92 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.562 -0.711 . . . . 0.0 111.002 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.39 -35.16 73.31 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.459 -0.775 . . . . 0.0 110.14 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 98.6 t -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.95 . . . . 0.0 109.758 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.32 82.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.25 75.56 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.621 0.724 . . . . 0.0 109.14 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -42.19 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.753 -1.217 . . . . 0.0 108.44 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.406 ' O ' ' N ' ' B' ' 85' ' ' CYS . 5.1 m -62.27 -36.48 82.19 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.81 -1.181 . . . . 0.0 109.261 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 t -49.98 -32.17 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -60.67 -40.44 92.09 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.994 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.632 ' C ' ' H ' ' B' ' 87' ' ' ASN . 20.4 p -128.2 47.37 2.43 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.654 ' N ' HD21 ' B' ' 86' ' ' ASN . 0.0 OUTLIER -61.83 2.97 0.17 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.632 ' H ' ' C ' ' B' ' 85' ' ' CYS . 10.8 t-20 -55.27 117.89 3.92 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.114 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -80.2 -14.01 58.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' B' ' 91' ' ' GLU . 96.9 m-85 -90.94 6.16 45.78 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.57 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 0.1 OUTLIER -59.97 46.1 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -179.113 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 89' ' ' PHE . 83.7 tt0 -62.94 131.77 49.82 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.72 -1.238 . . . . 0.0 108.755 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -99.81 114.79 28.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.499 -179.845 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.935 0 N-CA-C 119.854 2.702 . . . . 0.0 119.854 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -99.72 157.75 16.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.254 -1.145 . . . . 0.0 109.487 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 111.127 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.96 -43.79 70.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.063 -1.023 . . . . 0.0 112.607 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -60.71 -37.01 80.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.416 -1.428 . . . . 0.0 109.672 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.93 -38.57 82.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.907 . . . . 0.0 108.968 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.65 76.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.827 . . . . 0.0 109.965 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -60.02 -40.89 90.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.008 -1.057 . . . . 0.0 110.607 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.772 -1.205 . . . . 0.0 109.994 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -63.57 -40.12 96.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.0 111.526 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.47 -40.11 90.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.921 -1.112 . . . . 0.0 110.35 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.84 -42.24 95.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.122 -0.986 . . . . 0.0 109.923 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -62.54 -43.03 99.83 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.274 -0.891 . . . . 0.0 111.833 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 t -69.93 -38.28 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.741 -1.224 . . . . 0.0 110.92 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.3 m-30 -55.39 -39.01 69.64 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.4 t-80 -59.63 -29.42 68.0 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.11 -56.47 21.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.823 -1.173 . . . . 0.0 110.095 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.4 -40.01 58.38 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.776 -1.203 . . . . 0.0 110.388 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' LYS . 71.6 m -101.76 19.99 17.13 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.159 -0.963 . . . . 0.0 111.374 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -49.42 -9.69 0.16 Allowed Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.518 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 19' ' ' SER . 88.0 tttt -65.42 119.88 11.82 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.04 87.96 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.746 -0.596 . . . . 0.0 109.903 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.55 -52.84 50.54 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -102.68 58.78 0.79 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.457 -1.025 . . . . 0.0 109.336 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.989 -1.069 . . . . 0.0 109.03 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m-85 -52.73 168.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' NZ ' ' CE2' ' A' ' 74' ' ' PHE . 35.4 tptt -52.41 -93.39 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.445 -1.409 . . . . 0.0 109.247 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.96 -177.65 0.39 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.104 -1.623 . . . . 0.0 111.022 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p -46.63 146.86 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.831 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -60.05 -43.14 95.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.407 -0.808 . . . . 0.0 110.729 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.09 -40.96 91.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.731 -1.23 . . . . 0.0 111.561 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -81.72 -25.95 35.01 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.949 -1.094 . . . . 0.0 109.872 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -62.55 -44.46 96.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.537 -1.352 . . . . 0.0 109.373 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.517 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 9.7 tttm -81.45 -31.91 32.84 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.478 -1.388 . . . . 0.0 111.101 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -65.35 -40.05 93.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.661 -1.275 . . . . 0.0 108.995 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.49 -55.28 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.489 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.0 -22.92 63.08 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.653 -1.279 . . . . 0.0 109.271 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -60.0 -31.59 70.06 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -71.42 -43.06 67.45 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.331 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.1 -22.33 55.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.917 -1.114 . . . . 0.0 108.776 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -96.44 18.79 13.25 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.2 m -60.03 -39.55 86.29 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.594 0.711 . . . . 0.0 109.872 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -80.1 -23.77 41.02 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.305 -0.872 . . . . 0.0 109.191 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.577 ' C ' ' H ' ' A' ' 46' ' ' ASP . 8.1 m-85 -69.63 -58.67 3.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.328 -0.858 . . . . 0.0 109.771 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -67.38 11.14 0.13 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.751 -1.218 . . . . 0.0 108.902 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 44' ' ' PHE . 39.8 t0 -59.12 -39.32 81.95 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.486 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 10.5 m -125.8 55.59 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' VAL . 26.8 mt-30 -40.04 110.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 122.001 0.905 . . . . 0.0 110.619 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -79.96 -64.55 1.16 Allowed 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -98.5 99.23 10.37 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.129 -0.982 . . . . 0.0 108.598 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.6 -19.27 58.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.49 -0.756 . . . . 0.0 109.989 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -39.97 75.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.407 -0.808 . . . . 0.0 109.33 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.78 46.82 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 109.084 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.3 -38.28 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.93 87.51 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.239 0.542 . . . . 0.0 109.573 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -62.71 -39.99 95.76 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 109.25 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.75 -43.04 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.56 -0.712 . . . . 0.0 109.996 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.99 -29.0 69.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.003 -1.06 . . . . 0.0 109.491 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -65.26 -40.0 93.4 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 110.49 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.57 -40.93 66.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.473 -1.392 . . . . 0.0 110.177 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 14.4 mt -70.22 -26.48 63.88 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.49 -0.756 . . . . 0.0 110.977 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.65 -34.72 13.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.795 -1.191 . . . . 0.0 110.607 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -65.87 -37.73 86.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.79 56.26 1.14 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -57.71 -16.44 23.38 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 8.5 t0 -82.42 -7.85 59.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -1.047 . . . . 0.0 110.222 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.66 -145.65 0.07 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -156.23 159.94 39.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -1.118 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.2 m -135.49 151.57 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.2 t0 -129.08 -154.15 0.62 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.276 -0.89 . . . . 0.0 109.281 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 6.7 p90 -59.78 -47.46 85.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.505 -0.747 . . . . 0.0 111.356 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.1 tm0? -70.7 -32.01 69.07 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.581 -1.324 . . . . 0.0 110.242 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.8 mt-10 -83.54 -32.79 25.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.992 -1.067 . . . . 0.0 108.685 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' NZ ' ' A' ' 27' ' ' LYS . 16.2 t80 -69.9 -39.24 76.34 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.04 0.924 . . . . 0.0 109.036 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.78 -44.53 28.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 O-C-N 121.62 -0.675 . . . . 0.0 111.527 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.47 -40.94 72.85 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 O-C-N 121.125 -0.984 . . . . 0.0 110.748 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.26 -39.99 71.24 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.334 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 61.3 t -71.62 -39.38 69.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.468 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.99 88.55 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.188 0.994 . . . . 0.0 108.669 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.51 -35.95 79.16 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.855 -1.153 . . . . 0.0 108.066 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ASN . 8.9 m -58.47 -31.0 67.41 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.344 -0.847 . . . . 0.0 109.104 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.45 ' CG2' ' HG3' ' B' ' 72' ' ' GLN . 55.6 t -59.98 -41.38 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.06 -1.025 . . . . 0.0 108.815 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.534 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.585 ' C ' ' H ' ' A' ' 87' ' ' ASN . 4.0 m -120.88 36.56 4.55 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 82' ' ' THR . 63.6 t30 -66.65 1.8 1.61 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.585 ' H ' ' C ' ' A' ' 85' ' ' CYS . 0.1 OUTLIER -51.84 130.61 29.49 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.461 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -107.66 -32.88 7.48 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.406 -0.809 . . . . 0.0 109.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 45.5 p90 -91.19 -23.73 20.14 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.237 -0.914 . . . . 0.0 111.005 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER 36.05 75.79 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.658 -0.651 . . . . 0.0 110.167 -179.094 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -33.07 71.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.82 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -68.06 133.22 48.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.365 -0.834 . . . . 0.0 109.218 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.419 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.978 2.751 . . . . 0.0 119.978 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -99.89 157.55 16.44 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.103 -1.233 . . . . 0.0 109.464 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.33 -39.99 77.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.313 -0.867 . . . . 0.0 111.243 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.85 -43.95 70.86 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.11 -0.994 . . . . 0.0 112.565 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.8 -37.02 80.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.377 -1.452 . . . . 0.0 109.69 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -59.98 -38.5 82.72 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.263 -0.898 . . . . 0.0 108.945 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.73 -37.85 77.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -60.1 -41.1 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.947 -1.095 . . . . 0.0 110.411 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.86 -42.1 98.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.797 -1.19 . . . . 0.0 110.028 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.334 -0.854 . . . . 0.0 111.474 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.58 -39.91 89.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.827 -1.171 . . . . 0.0 110.46 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.05 -42.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.09 -1.006 . . . . 0.0 109.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.47 -42.83 99.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 111.923 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.93 -38.37 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.796 -1.19 . . . . 0.0 111.043 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.416 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.4 m-30 -55.32 -39.04 69.47 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.6 t-80 -59.8 -29.26 68.1 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.77 17.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.8 -1.187 . . . . 0.0 110.194 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.19 -39.95 59.76 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.904 -1.123 . . . . 0.0 110.444 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.523 ' O ' ' N ' ' B' ' 21' ' ' LYS . 73.3 m -101.8 20.03 17.11 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.112 -0.993 . . . . 0.0 111.324 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -49.35 -9.89 0.16 Allowed Glycine 0 N--CA 1.489 2.167 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.552 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' B' ' 19' ' ' SER . 87.9 tttt -65.24 120.03 11.99 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.762 -1.434 . . . . 0.0 107.153 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.029 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -52.84 51.0 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.63 58.99 0.79 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.482 -1.011 . . . . 0.0 109.362 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 108.965 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 3.3 m-85 -52.71 168.66 0.11 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.57 ' NZ ' ' CE2' ' B' ' 74' ' ' PHE . 35.7 tptt -52.25 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.534 -1.354 . . . . 0.0 109.132 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.95 -177.41 0.38 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.174 -1.579 . . . . 0.0 111.019 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -46.63 146.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.147 -0.971 . . . . 0.0 109.807 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -59.92 -43.37 94.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.445 -0.784 . . . . 0.0 110.705 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -41.09 91.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.785 -1.197 . . . . 0.0 111.483 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -81.9 -25.88 34.61 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.958 -1.089 . . . . 0.0 109.831 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -62.45 -44.4 96.5 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.543 -1.348 . . . . 0.0 109.429 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.524 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 9.3 tttm -81.54 -31.85 32.52 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.39 -1.444 . . . . 0.0 111.055 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -65.35 -39.99 93.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.833 -1.167 . . . . 0.0 109.076 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.56 -55.38 13.66 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.451 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -69.88 -23.21 63.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.778 -1.201 . . . . 0.0 109.343 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 26.2 tp60 -59.99 -31.19 69.69 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.9 m -71.76 -42.66 66.93 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.775 -0.578 . . . . 0.0 110.481 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -76.45 -22.01 55.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.805 -1.184 . . . . 0.0 108.694 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -97.04 19.53 12.7 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.3 m -60.03 -39.9 87.46 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.704 0.764 . . . . 0.0 109.756 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -79.71 -24.13 41.88 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.281 -0.887 . . . . 0.0 109.164 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.578 ' C ' ' H ' ' B' ' 46' ' ' ASP . 8.5 m-85 -69.55 -58.69 3.64 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.746 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -67.01 10.56 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.811 -1.181 . . . . 0.0 108.865 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' B' ' 44' ' ' PHE . 39.8 t0 -58.91 -39.3 81.11 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.482 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 11.4 m -125.8 55.49 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' B' ' 47' ' ' VAL . 27.2 mt-30 -40.06 110.84 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.048 0.928 . . . . 0.0 110.515 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -79.88 -64.51 1.17 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.73 99.35 10.45 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.086 -1.009 . . . . 0.0 108.583 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.13 57.8 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.508 -0.745 . . . . 0.0 109.949 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.97 -39.95 75.68 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.37 -52.4 47.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 109.046 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.17 -38.45 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.0 87.3 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.251 0.548 . . . . 0.0 109.635 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.45 -40.09 95.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.35 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.77 -43.05 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.025 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmt -61.14 -28.91 69.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.013 -1.054 . . . . 0.0 109.643 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -65.17 -40.16 93.93 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 110.334 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.27 -41.11 67.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.599 -1.313 . . . . 0.0 110.394 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 15.2 mt -70.0 -26.82 64.25 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.417 -0.802 . . . . 0.0 111.145 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.64 -34.3 13.34 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.913 -1.117 . . . . 0.0 110.641 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -66.15 -37.59 86.05 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.92 56.09 1.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -57.74 -16.26 22.73 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 8.5 t0 -82.49 -8.04 59.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.503 -0.998 . . . . 0.0 110.239 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -145.6 0.07 OUTLIER Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.12 160.02 39.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -1.186 . . . . 0.0 110.312 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.3 m -135.64 151.52 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.8 t0 -129.13 -154.38 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.275 -0.891 . . . . 0.0 109.344 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.637 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 6.5 p90 -59.45 -47.43 85.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 0.0 111.441 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.637 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.1 tm0? -70.62 -32.23 69.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.639 -1.288 . . . . 0.0 110.321 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.9 mt-10 -83.37 -32.99 25.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.158 -0.964 . . . . 0.0 108.718 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' NZ ' ' B' ' 27' ' ' LYS . 15.8 t80 -69.99 -39.2 76.05 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.983 0.896 . . . . 0.0 108.984 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.1 t -78.03 -44.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 O-C-N 121.633 -0.667 . . . . 0.0 111.543 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.33 -41.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 O-C-N 121.047 -1.033 . . . . 0.0 110.743 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 tp -71.37 -39.81 70.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.38 -0.825 . . . . 0.0 110.381 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 59.7 t -71.56 -39.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.344 -0.848 . . . . 0.0 109.2 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.59 85.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.05 87.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 122.192 0.996 . . . . 0.0 108.693 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.64 -36.19 80.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.866 -1.146 . . . . 0.0 108.134 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 86' ' ' ASN . 9.0 m -58.1 -31.14 66.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.238 -0.914 . . . . 0.0 109.099 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.451 ' CG2' ' HG3' ' A' ' 72' ' ' GLN . 49.7 t -59.98 -41.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.115 -0.99 . . . . 0.0 108.79 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -71.66 -27.08 62.82 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.366 -0.833 . . . . 0.0 109.516 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.582 ' C ' ' H ' ' B' ' 87' ' ' ASN . 3.9 m -120.92 36.66 4.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 82' ' ' THR . 64.0 t30 -66.52 1.97 1.49 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.583 ' N ' HD21 ' B' ' 87' ' ' ASN . 0.1 OUTLIER -52.07 130.5 30.14 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.478 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.47 -32.79 7.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.314 -0.866 . . . . 0.0 109.922 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 44.4 p90 -91.42 -23.61 19.98 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.206 -0.933 . . . . 0.0 110.968 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' B' ' 89' ' ' PHE . 0.9 OUTLIER 35.98 75.63 0.06 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.728 -0.608 . . . . 0.0 110.257 -179.133 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.97 -32.27 70.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.911 . . . . 0.0 109.836 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.52 133.54 48.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.151 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.376 -179.746 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.892 0 N-CA-C 119.44 2.536 . . . . 0.0 119.44 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.918 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 81.4 p -79.99 172.56 13.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -1.118 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.514 ' HB3' ' CG1' ' B' ' 14' ' ' VAL . 98.5 mt-10 -60.12 -51.3 70.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.851 . . . . 0.0 110.54 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' ' OE2' ' B' ' 40' ' ' GLU . 87.0 mt -71.95 -39.29 69.49 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.731 -1.231 . . . . 0.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' B' ' 41' ' ' LEU . 55.3 tp10 -60.02 -40.46 89.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.095 -1.003 . . . . 0.0 109.318 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.5 m -61.09 -40.0 92.05 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.06 89.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.359 -0.838 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.3 -41.33 93.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.834 -1.166 . . . . 0.0 110.563 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.46 -39.97 94.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.067 -1.021 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.7 m -65.83 -39.99 91.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 110.792 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.17 -40.05 88.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 110.575 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 12' ' ' ILE . 96.7 mt -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.051 -1.031 . . . . 0.0 110.079 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.84 -40.4 92.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.574 ' CG1' ' HB3' ' B' ' 3' ' ' GLU . 28.3 t -72.53 -39.43 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.473 -1.392 . . . . 0.0 111.117 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.5 m-30 -55.16 -37.0 66.43 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 20' ' ' GLY . 76.7 t60 -59.91 -30.53 69.1 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' CB ' ' OE1' ' B' ' 3' ' ' GLU . . . -58.66 -55.52 34.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.021 -1.05 . . . . 0.0 110.331 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -74.68 -39.19 62.15 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.756 -1.215 . . . . 0.0 110.872 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.585 ' C ' ' H ' ' A' ' 21' ' ' LYS . 66.2 m -97.03 13.17 29.97 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.861 -1.149 . . . . 0.0 110.665 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -66.08 27.8 0.15 Allowed Glycine 0 N--CA 1.491 2.304 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.604 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' H ' ' C ' ' A' ' 19' ' ' SER . 13.8 tptm -70.86 -4.23 23.2 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.874 -1.368 . . . . 0.0 107.449 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 20' ' ' GLY . 64.7 tt0 66.54 -17.33 0.12 Allowed 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -79.43 -76.75 0.95 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 23.3 p-10 -99.77 99.86 10.73 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.46 -28.71 69.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.195 -0.941 . . . . 0.0 109.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -49.68 170.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.323 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 35.1 tptt -58.53 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.427 -1.309 . . . . 0.0 108.814 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.66 -177.44 0.12 Allowed 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.905 -1.122 . . . . 0.0 111.214 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -50.99 149.68 3.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.988 -1.07 . . . . 0.0 109.852 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 32.4 mtmm -62.62 -48.78 77.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.092 -1.005 . . . . 0.0 112.315 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -52.93 -47.13 68.26 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 119.706 -1.871 . . . . 0.0 111.24 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.26 -39.84 86.17 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 121.066 -1.021 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -53.63 -44.5 69.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.415 -0.803 . . . . 0.0 110.401 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HZ3' ' NE2' ' A' ' 38' ' ' GLN . 2.4 ttmm -60.01 -45.45 92.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 119.832 -1.792 . . . . 0.0 109.438 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.12 -22.13 65.57 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.959 -1.088 . . . . 0.0 109.076 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -54.93 7.0 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.684 0.755 . . . . 0.0 111.078 -178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.13 -48.7 64.69 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.036 -1.04 . . . . 0.0 112.936 -176.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' NE2' ' HZ3' ' A' ' 34' ' ' LYS . 52.7 mt-30 -62.74 -23.17 67.05 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-O 122.513 1.149 . . . . 0.0 108.238 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.65 -41.92 52.83 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.447 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.952 ' CG ' ' OG ' ' B' ' 2' ' ' SER . 49.1 tt0 -94.01 -1.71 54.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.636 -0.665 . . . . 0.0 109.691 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD21 ' OE1' ' B' ' 5' ' ' GLU . 68.3 mt -119.55 36.02 4.64 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.7 m -59.96 -40.13 87.98 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 111.274 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 38.5 t -62.31 -35.07 77.9 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.037 -1.039 . . . . 0.0 108.949 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.3 m-85 -60.21 -40.01 88.62 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.377 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.73 -8.8 11.43 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 43' ' ' SER . 89.6 m-20 -50.41 -30.53 12.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 109.182 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.67 98.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.179 -0.951 . . . . 0.0 110.284 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -70.4 112.95 7.07 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.993 -1.067 . . . . 0.0 109.865 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.8 -70.02 0.56 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.509 -0.744 . . . . 0.0 109.698 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.01 101.58 12.71 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 122.46 1.124 . . . . 0.0 110.425 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.77 -17.36 61.59 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.393 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.85 75.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.563 -0.711 . . . . 0.0 109.713 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -51.44 55.92 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.148 -0.97 . . . . 0.0 109.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.87 -37.06 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.94 -39.96 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.698 -0.626 . . . . 0.0 110.538 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.19 -39.76 86.42 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.956 -1.09 . . . . 0.0 109.517 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.9 mt -59.93 -41.62 86.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 109.317 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.1 mmt -60.96 -31.96 71.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 109.107 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.2 -40.04 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.098 -1.001 . . . . 0.0 111.249 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.09 -39.56 86.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.495 -1.378 . . . . 0.0 109.631 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -59.9 -39.34 85.05 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.88 -0.512 . . . . 0.0 111.007 -178.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -86.83 -34.65 19.44 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.062 -1.024 . . . . 0.0 111.585 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -30.16 64.6 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.185 -0.947 . . . . 0.0 110.035 -178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.511 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 45.1 t-20 -148.93 45.48 1.0 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.323 -0.861 . . . . 0.0 108.978 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.46 -30.7 12.91 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -79.67 -9.09 59.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.489 -1.006 . . . . 0.0 110.399 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . -64.29 -149.85 0.05 OUTLIER Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -158.31 159.98 36.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -1.072 . . . . 0.0 110.718 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.6 151.16 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.53 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 6.5 m-20 -122.63 -158.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.426 -0.796 . . . . 0.0 109.555 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 40.9 p90 -60.13 -52.08 66.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.461 -0.774 . . . . 0.0 112.155 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 3.3 tm0? -70.07 -30.02 67.17 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.915 -1.115 . . . . 0.0 109.318 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.53 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 26.4 mt-10 -76.01 -36.81 59.0 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.739 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.446 -0.784 . . . . 0.0 109.055 179.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.31 -41.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.198 -0.939 . . . . 0.0 110.722 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.43 -41.35 78.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 tt -71.31 -39.42 71.45 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.679 -0.638 . . . . 0.0 110.188 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 94.2 t -68.95 -40.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.002 -1.061 . . . . 0.0 108.495 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.86 90.47 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.39 -36.31 83.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.249 . . . . 0.0 108.517 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' ASN . 3.3 m -58.04 -35.09 70.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 108.965 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -41.18 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.394 -0.817 . . . . 0.0 108.903 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.97 -20.97 63.28 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.615 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.725 ' C ' ' H ' ' A' ' 87' ' ' ASN . 54.3 m -134.01 45.72 2.6 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.543 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 12.3 p30 -63.85 31.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.149 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.725 ' H ' ' C ' ' A' ' 85' ' ' CYS . 43.8 p-10 -59.73 145.06 46.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.445 -0.785 . . . . 0.0 110.324 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 86' ' ' ASN . 82.6 m-85 -135.93 -33.69 0.84 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.479 -0.763 . . . . 0.0 109.116 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -92.71 -27.6 17.15 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.389 -0.819 . . . . 0.0 110.442 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -81.95 52.94 2.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.794 -1.191 . . . . 0.0 109.744 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.7 141.89 53.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 108.849 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -80.24 -8.05 59.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.938 . . . . 0.0 109.712 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.697 -179.698 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.937 0 N-CA-C 119.158 2.423 . . . . 0.0 119.158 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.952 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 80.8 p -79.98 172.41 13.81 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.192 -1.181 . . . . 0.0 109.94 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.574 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 99.0 mt-10 -60.0 -51.32 70.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.361 -0.837 . . . . 0.0 110.602 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.81 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 89.8 mt -72.1 -39.09 69.18 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.694 -1.254 . . . . 0.0 109.903 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.463 ' OE1' HD21 ' A' ' 41' ' ' LEU . 55.3 tp10 -59.95 -40.9 90.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.87 -40.05 91.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.108 -0.995 . . . . 0.0 109.588 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.12 88.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.804 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.53 -41.29 94.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.878 -1.139 . . . . 0.0 110.468 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 110.452 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -65.61 -40.18 92.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.312 -0.868 . . . . 0.0 110.51 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.01 -40.14 88.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.005 -1.059 . . . . 0.0 110.659 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -42.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 120.894 -1.129 . . . . 0.0 110.122 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -60.83 -41.02 94.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 111.319 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 3' ' ' GLU . 33.8 t -72.33 -39.36 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.639 -1.288 . . . . 0.0 111.271 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.09 -37.18 66.5 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 74.8 t60 -59.59 -30.8 68.92 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' OE1' ' A' ' 3' ' ' GLU . . . -58.5 -55.5 34.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.123 -0.986 . . . . 0.0 110.444 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.04 -38.9 61.29 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.735 -1.228 . . . . 0.0 110.812 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.572 ' C ' ' H ' ' B' ' 21' ' ' LYS . 69.6 m -96.82 12.56 31.68 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.935 -1.103 . . . . 0.0 110.668 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -65.97 27.47 0.15 Allowed Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.889 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' B' ' 23' ' ' GLY . 14.2 tptm -70.82 -4.05 22.12 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.872 -1.369 . . . . 0.0 107.466 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' B' ' 20' ' ' GLY . 66.1 tt0 66.39 -17.37 0.12 Allowed 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.015 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -79.45 -76.74 0.95 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 23.3 p-10 -99.77 99.73 10.59 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.402 -1.058 . . . . 0.0 108.347 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -64.37 -28.71 69.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.0 109.354 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -49.67 170.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.426 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 34.7 tptt -58.4 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.408 -1.317 . . . . 0.0 108.795 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 175.03 -177.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.883 -1.136 . . . . 0.0 111.228 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -51.19 149.53 3.81 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.973 -1.08 . . . . 0.0 109.948 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 31.7 mtmm -62.23 -49.11 77.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.091 -1.006 . . . . 0.0 112.306 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -52.68 -46.91 67.44 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 119.736 -1.853 . . . . 0.0 111.268 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.98 -39.04 83.38 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.06 -1.025 . . . . 0.0 109.341 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.4 tm? -54.23 -44.27 71.56 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.443 -0.786 . . . . 0.0 110.339 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.41 ' HZ2' ' NE2' ' B' ' 38' ' ' GLN . 2.3 ttmm -60.03 -45.66 92.07 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.0 -1.688 . . . . 0.0 109.414 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.408 ' O ' ' OG1' ' B' ' 39' ' ' THR . 93.7 m-20 -62.15 -22.13 65.62 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.951 -1.093 . . . . 0.0 108.957 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -54.71 7.63 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.654 0.74 . . . . 0.0 111.218 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.43 -48.74 63.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.052 -1.03 . . . . 0.0 112.785 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.41 ' NE2' ' HZ2' ' B' ' 34' ' ' LYS . 50.6 mt-30 -62.7 -23.11 66.98 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.526 1.155 . . . . 0.0 108.23 -177.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 1.2 m -75.76 -41.49 52.97 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.509 -178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.918 ' CG ' ' OG ' ' A' ' 2' ' ' SER . 46.2 tt0 -93.88 -2.52 53.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.547 -0.721 . . . . 0.0 109.606 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' ' 5' ' ' GLU . 69.6 mt -119.22 36.43 4.47 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -60.08 -39.98 87.99 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.446 -0.784 . . . . 0.0 111.223 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 47.0 t -62.99 -34.45 77.58 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 108.951 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.1 m-85 -60.69 -39.98 90.49 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.17 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -9.31 11.05 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' B' ' 43' ' ' SER . 89.5 m-20 -50.09 -30.37 10.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.001 -1.062 . . . . 0.0 109.33 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.96 98.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.09 -1.006 . . . . 0.0 110.356 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -70.38 113.01 7.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.064 -1.023 . . . . 0.0 109.799 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.646 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.2 mmmp? -81.01 -69.97 0.57 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.52 -0.738 . . . . 0.0 109.623 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -100.03 101.66 12.79 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.55 1.167 . . . . 0.0 110.4 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -17.56 61.55 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.507 -0.745 . . . . 0.0 109.312 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.93 -40.04 75.75 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.568 -0.708 . . . . 0.0 109.676 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -51.3 57.62 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.188 -0.945 . . . . 0.0 109.202 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -36.97 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.694 -0.629 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.44 -39.42 85.39 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.975 -1.078 . . . . 0.0 109.416 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.0 mt -59.95 -41.78 87.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.601 -0.687 . . . . 0.0 109.481 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.2 mmt -61.01 -32.05 71.65 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.059 -1.026 . . . . 0.0 109.135 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.199 -0.938 . . . . 0.0 111.282 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.12 -39.64 86.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.57 -1.331 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' B' ' 30' ' ' LYS . 0.8 OUTLIER -59.96 -39.27 85.04 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.82 -0.55 . . . . 0.0 111.071 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.98 -34.54 19.24 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.053 . . . . 0.0 111.531 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -30.3 64.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.19 -0.944 . . . . 0.0 110.035 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.523 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 45.5 t-20 -148.76 45.5 1.02 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 108.915 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -30.4 13.19 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -79.84 -9.01 59.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.496 -1.002 . . . . 0.0 110.414 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . -64.41 -149.53 0.05 OUTLIER Glycine 0 N--CA 1.481 1.696 0 N-CA-C 109.139 -1.585 . . . . 0.0 109.139 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -158.41 160.02 36.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.401 -1.058 . . . . 0.0 110.711 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -130.44 151.36 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.516 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 7.9 m-20 -122.82 -158.41 0.79 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.522 -0.736 . . . . 0.0 109.643 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 40.4 p90 -60.46 -51.99 67.11 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.415 -0.803 . . . . 0.0 112.11 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 3.1 tm0? -69.97 -30.03 67.29 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.026 -1.046 . . . . 0.0 109.36 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 24.7 mt-10 -76.62 -36.55 57.38 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.399 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 0.7 OUTLIER -69.97 -34.56 73.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.6 t -74.2 -41.39 51.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.166 -0.959 . . . . 0.0 110.62 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.8 t -70.39 -41.64 78.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.161 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 tt -71.04 -39.45 72.27 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.734 -0.604 . . . . 0.0 110.305 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 92.9 t -69.03 -39.9 80.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.584 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.82 90.76 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.63 -36.88 85.68 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.705 -1.247 . . . . 0.0 108.49 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.45 ' O ' ' N ' ' B' ' 86' ' ' ASN . 3.1 m -57.5 -35.05 69.72 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 109.114 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.1 -41.25 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.339 -0.851 . . . . 0.0 108.712 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.96 -21.06 63.29 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.606 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.712 ' C ' ' H ' ' B' ' 87' ' ' ASN . 52.3 m -133.8 45.68 2.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.556 HD22 ' HZ1' ' B' ' 49' ' ' LYS . 12.1 p30 -63.74 31.49 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.11 -0.994 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.712 ' H ' ' C ' ' B' ' 85' ' ' CYS . 44.0 p-10 -59.66 144.97 46.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.447 -0.783 . . . . 0.0 110.462 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 86' ' ' ASN . 84.0 m-85 -135.81 -34.13 0.83 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -92.52 -26.99 17.68 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.256 -0.902 . . . . 0.0 110.566 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 28.0 m-90 -82.35 52.24 2.0 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.824 -1.172 . . . . 0.0 109.709 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.85 141.98 54.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 108.879 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -80.23 -8.04 59.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.968 . . . . 0.0 109.675 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.705 -179.631 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.623 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 52.3 p -80.7 169.22 17.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.698 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -61.11 -50.23 74.08 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.201 -0.937 . . . . 0.0 111.265 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' B' ' 14' ' ' VAL . 64.6 mt -77.03 -40.82 45.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.534 -1.354 . . . . 0.0 110.526 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.473 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 88.7 tt0 -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.948 -1.095 . . . . 0.0 110.039 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -40.02 88.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.234 -0.916 . . . . 0.0 110.406 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' B' ' 11' ' ' LEU . . . -68.38 -40.31 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.347 -0.845 . . . . 0.0 111.263 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 tpt -61.01 -41.35 96.38 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.939 -1.1 . . . . 0.0 110.522 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.24 -40.02 96.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.091 -1.006 . . . . 0.0 109.955 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.5 m -63.43 -40.08 96.19 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.369 -0.832 . . . . 0.0 110.281 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 94.3 mt -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.06 -1.025 . . . . 0.0 110.742 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.19 -43.94 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.04 -40.31 88.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.313 -0.867 . . . . 0.0 110.898 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' B' ' 4' ' ' LEU . 61.0 t -66.5 -39.4 83.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 120.707 -1.246 . . . . 0.0 110.418 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 5.4 m-30 -50.84 -38.37 48.58 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.732 -1.23 . . . . 0.0 107.699 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 74.2 t60 -60.01 -35.68 75.59 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.73 -58.58 7.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.091 . . . . 0.0 110.549 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.56 -40.05 64.23 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.545 -1.347 . . . . 0.0 110.756 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 51.0 m -84.56 -6.56 59.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.017 -1.052 . . . . 0.0 111.205 -178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -58.33 -39.97 93.41 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -76.24 -12.68 60.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.001 -1.293 . . . . 0.0 109.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -78.08 141.22 38.94 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.36 -32.38 72.37 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -98.67 128.75 45.05 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.266 -1.137 . . . . 0.0 109.44 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' TYR . 4.4 mptp? -62.33 -32.11 72.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.207 -0.933 . . . . 0.0 109.491 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.0 m-85 -48.74 170.3 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' O ' ' O ' ' A' ' 26' ' ' TYR . 47.5 tptt -50.55 -94.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.229 -1.389 . . . . 0.0 109.493 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' H ' HG22 ' A' ' 69' ' ' VAL . 1.4 pp 179.39 -178.8 0.38 Allowed 'General case' 0 N--CA 1.514 2.756 0 O-C-N 120.64 -1.287 . . . . 0.0 111.956 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.507 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 7.9 t -43.91 155.1 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.32 -0.862 . . . . 0.0 111.847 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' N ' ' HG ' ' A' ' 29' ' ' SER . 2.3 mmmm -66.72 -54.1 26.55 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.26 -43.96 95.71 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 119.59 -1.944 . . . . 0.0 111.975 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -69.8 -31.57 69.56 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.738 -1.227 . . . . 0.0 108.757 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -59.97 -44.1 94.67 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.948 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HZ2' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -65.28 -55.54 17.78 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.75 -1.219 . . . . 0.0 111.734 -178.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.83 -27.63 52.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.34 -1.475 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -52.82 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 111.831 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 37' ' ' LEU . 6.0 mp -69.21 -45.36 70.06 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.615 -1.303 . . . . 0.0 112.693 -176.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.83 -26.69 67.51 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.542 -1.348 . . . . 0.0 107.618 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.01 -39.97 54.61 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.075 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.77 ' CD ' ' HG ' ' B' ' 2' ' ' SER . 81.0 tt0 -79.3 -5.83 55.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.7 49.77 1.01 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -54.14 -37.84 64.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 0.0 110.091 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 36.0 t -56.88 -17.93 11.25 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CD2' ' SG ' ' A' ' 85' ' ' CYS . 30.7 t80 -60.05 -40.05 88.11 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.95 -14.13 62.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 43' ' ' SER . 9.3 t70 -59.97 -45.89 91.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.408 -0.807 . . . . 0.0 109.891 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.653 ' CG2' HD21 ' A' ' 87' ' ' ASN . 2.1 m -158.38 97.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.963 -1.086 . . . . 0.0 110.93 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' CD ' ' N ' ' A' ' 48' ' ' GLN . 8.4 mp0 -70.07 119.86 14.91 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.686 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.3 mmmm -91.44 -79.92 0.36 Allowed 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.9 -0.5 . . . . 0.0 110.524 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.56 98.95 9.2 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.907 -1.12 . . . . 0.0 109.887 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.8 -18.87 61.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.461 -0.774 . . . . 0.0 110.021 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -39.97 75.35 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.607 -0.683 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -50.77 65.43 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -59.56 -38.23 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.057 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -58.87 -39.99 83.02 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.139 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.4 -39.98 89.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.884 -1.135 . . . . 0.0 109.98 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 1.3 mp -60.03 -43.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 120.934 -1.104 . . . . 0.0 108.574 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mpt? -58.89 -24.7 62.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.624 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 10.0 mtpm? -66.69 -39.97 88.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.706 -1.246 . . . . 0.0 110.347 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 64' ' ' ASN . 96.4 mt-10 -67.3 -39.9 85.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.523 -1.36 . . . . 0.0 111.992 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' CD2' ' HZ2' ' A' ' 34' ' ' LYS . 3.0 mp -75.0 -33.12 61.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.469 -1.395 . . . . 0.0 109.934 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.0 -38.01 75.87 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.601 -1.312 . . . . 0.0 108.405 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 11.5 mm-40 -61.23 -39.99 92.35 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.655 0.741 . . . . 0.0 109.434 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 51.6 p30 -148.25 61.56 1.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -50.0 -29.99 15.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.046 -1.621 . . . . 0.0 109.046 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -79.94 2.11 24.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.738 -0.86 . . . . 0.0 109.688 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -68.94 -149.41 0.27 Allowed Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -160.21 160.41 32.73 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.165 -1.197 . . . . 0.0 110.926 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 28' ' ' LEU . 7.0 m -129.26 155.25 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 10.9 m-20 -128.12 -160.0 0.99 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.221 -0.925 . . . . 0.0 109.605 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.856 ' CZ ' ' ND2' ' B' ' 86' ' ' ASN . 43.0 p90 -60.04 -51.48 69.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.603 -0.686 . . . . 0.0 111.514 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.72 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.34 -27.76 64.61 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.733 -1.23 . . . . 0.0 109.574 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 39.7 tt0 -81.92 -34.69 29.78 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.352 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 1.5 t80 -69.93 -38.87 76.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.975 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.25 -43.41 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.229 -0.92 . . . . 0.0 110.848 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.2 t -68.62 -40.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.421 -0.799 . . . . 0.0 109.988 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.58 -40.04 76.98 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.38 -0.825 . . . . 0.0 109.167 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 75.9 t -61.71 -42.25 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.558 -0.714 . . . . 0.0 109.73 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.23 -34.77 78.87 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.36 89.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.492 0.663 . . . . 0.0 109.475 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.22 -39.96 86.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.524 -1.36 . . . . 0.0 107.871 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.593 ' O ' ' N ' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -54.87 -31.17 59.46 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.0 -41.52 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.686 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.55 -20.97 61.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.152 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.696 ' C ' ' H ' ' A' ' 87' ' ' ASN . 1.5 m -130.04 30.96 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.878 ' ND2' ' CZ ' ' B' ' 71' ' ' PHE . 22.5 t-20 -65.09 26.71 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.098 -1.001 . . . . 0.0 109.88 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.696 ' H ' ' C ' ' A' ' 85' ' ' CYS . 34.4 p-10 -50.4 139.86 14.63 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.559 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -107.7 -33.24 7.34 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 109.299 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 97.3 m-85 -93.31 -22.23 19.1 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.2 -0.938 . . . . 0.0 109.816 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER 34.04 49.05 0.27 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.295 0.569 . . . . 0.0 111.452 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -90.86 104.95 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.791 -1.193 . . . . 0.0 108.696 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 20.3 p-10 -82.27 150.35 27.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.883 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.461 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.662 2.625 . . . . 0.0 119.662 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.77 ' HG ' ' CD ' ' A' ' 40' ' ' GLU . 58.9 p -80.7 169.44 17.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.237 -1.155 . . . . 0.0 109.744 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 -60.85 -50.67 72.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.265 -0.897 . . . . 0.0 111.295 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 63.7 mt -76.66 -41.0 47.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.603 -1.311 . . . . 0.0 110.647 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.461 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 88.6 tt0 -62.02 -41.7 98.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.972 -1.08 . . . . 0.0 110.075 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -60.16 -39.97 88.25 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.266 -0.897 . . . . 0.0 110.41 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.478 ' CB ' HD22 ' A' ' 11' ' ' LEU . . . -68.54 -39.99 80.89 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 0.0 111.3 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.21 -41.62 97.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.954 -1.092 . . . . 0.0 110.427 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.96 -39.92 96.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.211 -0.93 . . . . 0.0 110.082 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -63.56 -39.98 95.81 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -0.867 . . . . 0.0 110.355 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 93.8 mt -59.93 -40.1 87.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.94 -1.1 . . . . 0.0 110.749 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.425 HD11 HG22 ' B' ' 12' ' ' ILE . 85.1 mt -62.31 -43.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.732 -1.23 . . . . 0.0 109.819 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.01 -40.47 89.36 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.346 -0.846 . . . . 0.0 110.891 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 4' ' ' LEU . 56.7 t -66.61 -39.42 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.697 -1.252 . . . . 0.0 110.33 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 5.4 m-30 -50.71 -38.24 46.13 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 107.735 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 20' ' ' GLY . 73.3 t60 -60.09 -35.53 75.41 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -58.79 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.954 -1.091 . . . . 0.0 110.4 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.66 -39.87 64.13 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.521 -1.362 . . . . 0.0 110.711 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 49.5 m -84.38 -6.84 59.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.071 -1.018 . . . . 0.0 111.229 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -58.34 -39.76 93.16 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -76.52 -12.42 60.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -78.34 141.51 38.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.78 -32.08 73.49 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.64 129.03 45.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.309 -1.112 . . . . 0.0 109.327 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 26' ' ' TYR . 4.4 mptp? -62.53 -32.17 73.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 109.518 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.502 ' O ' ' O ' ' B' ' 27' ' ' LYS . 59.7 m-85 -48.72 170.38 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' B' ' 26' ' ' TYR . 45.4 tptt -50.86 -94.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.431 -1.418 . . . . 0.0 109.329 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.415 ' H ' HG23 ' B' ' 69' ' ' VAL . 1.3 pp 179.48 -178.76 0.38 Allowed 'General case' 0 N--CA 1.513 2.711 0 O-C-N 120.686 -1.259 . . . . 0.0 112.06 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -44.0 155.2 0.09 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.29 -0.881 . . . . 0.0 111.912 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -66.85 -54.15 25.27 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -60.05 -44.15 94.89 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 119.536 -1.978 . . . . 0.0 111.942 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -69.65 -31.53 69.66 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.75 -1.219 . . . . 0.0 108.782 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.9 tm? -59.94 -44.12 94.57 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.076 -1.015 . . . . 0.0 108.992 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.575 ' HZ3' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -65.46 -55.32 18.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.784 -1.197 . . . . 0.0 111.836 -178.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.66 -27.93 52.63 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 120.43 -1.419 . . . . 0.0 110.204 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -74.4 -52.94 10.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.51 -0.743 . . . . 0.0 111.917 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.402 ' N ' HD13 ' B' ' 37' ' ' LEU . 6.1 mp -69.16 -45.28 70.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.624 -1.298 . . . . 0.0 112.728 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.0 -26.47 67.62 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.505 -1.372 . . . . 0.0 107.61 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.2 -40.02 53.29 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.623 ' CG ' ' OG ' ' A' ' 2' ' ' SER . 80.9 tt0 -79.22 -5.92 55.43 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -114.34 49.46 1.01 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.0 m -53.96 -38.26 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.455 -0.778 . . . . 0.0 110.025 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 36.6 t -56.57 -17.92 10.14 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.617 ' CD2' ' SG ' ' B' ' 85' ' ' CYS . 30.0 t80 -59.95 -40.07 87.73 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.32 -13.84 62.56 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' B' ' 43' ' ' SER . 9.3 t70 -60.02 -46.28 90.0 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.424 -0.797 . . . . 0.0 109.9 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.66 ' CG2' HD21 ' B' ' 87' ' ' ASN . 1.8 m -157.49 97.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.022 -1.049 . . . . 0.0 110.895 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -70.09 119.78 14.8 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.233 -0.917 . . . . 0.0 108.937 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.684 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -91.62 -80.01 0.36 Allowed 'General case' 0 C--N 1.288 -2.067 0 O-C-N 121.774 -0.579 . . . . 0.0 110.495 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -101.33 98.93 9.24 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.895 -1.128 . . . . 0.0 109.954 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -18.91 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.012 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 -39.94 75.47 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.613 -0.679 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.01 64.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -0.833 . . . . 0.0 109.282 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -59.41 -37.93 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.06 -40.04 83.93 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.098 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -66.52 -40.01 88.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 1.4 mp -59.95 -43.27 91.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.009 -1.057 . . . . 0.0 108.482 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 1.2 mpt? -58.72 -24.57 61.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.428 -0.795 . . . . 0.0 109.648 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' B' ' 63' ' ' GLU . 9.9 mtpm? -67.05 -39.6 86.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.702 -1.248 . . . . 0.0 110.374 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 64' ' ' ASN . 96.2 mt-10 -67.64 -39.94 84.59 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.564 -1.335 . . . . 0.0 111.81 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.575 ' CD2' ' HZ3' ' B' ' 34' ' ' LYS . 3.0 mp -74.79 -33.26 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.416 . . . . 0.0 109.828 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -37.89 75.78 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.474 -1.391 . . . . 0.0 108.421 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 59' ' ' LYS . 11.7 mm-40 -61.44 -39.99 92.83 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.588 0.708 . . . . 0.0 109.357 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 60' ' ' GLU . 50.9 p30 -148.12 61.62 1.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.88 -29.89 14.44 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -80.03 1.9 25.84 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.585 -0.95 . . . . 0.0 109.837 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -149.48 0.26 Allowed Glycine 0 N--CA 1.484 1.876 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -160.07 160.41 33.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.229 -1.159 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.415 HG23 ' H ' ' B' ' 28' ' ' LEU . 7.3 m -129.11 155.39 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.7 m-20 -128.51 -159.99 0.99 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.198 -0.939 . . . . 0.0 109.501 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.878 ' CZ ' ' ND2' ' A' ' 86' ' ' ASN . 42.8 p90 -59.95 -51.42 69.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 0.0 111.487 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.713 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.64 -27.51 64.11 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.738 -1.226 . . . . 0.0 109.548 -178.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.471 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 37.5 tt0 -82.09 -34.56 29.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.129 -1.029 . . . . 0.0 108.358 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 1.4 t80 -69.99 -38.83 76.12 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.167 -0.958 . . . . 0.0 108.949 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.81 -44.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.3 -0.875 . . . . 0.0 111.021 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.5 -39.92 81.34 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.523 -0.735 . . . . 0.0 110.138 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.66 -40.0 76.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.385 -0.822 . . . . 0.0 109.098 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 75.1 t -61.4 -42.48 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 109.643 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.514 0.674 . . . . 0.0 109.411 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.18 -40.01 86.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.463 -1.398 . . . . 0.0 107.93 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.587 ' O ' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -54.56 -31.1 56.0 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -41.58 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.684 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.39 -20.81 61.38 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.237 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.661 ' C ' ' H ' ' B' ' 87' ' ' ASN . 1.4 m -130.28 30.65 4.73 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.856 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 23.3 t-20 -64.92 26.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.11 -0.993 . . . . 0.0 110.008 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.661 ' H ' ' C ' ' B' ' 85' ' ' CYS . 33.8 p-10 -50.45 139.99 14.59 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.706 -0.621 . . . . 0.0 109.514 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -107.8 -33.16 7.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.532 -0.73 . . . . 0.0 109.232 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.568 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 95.8 m-85 -93.44 -22.29 18.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.131 -0.98 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.568 ' CD1' ' O ' ' B' ' 89' ' ' PHE . 0.7 OUTLIER 34.19 48.57 0.26 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.264 0.554 . . . . 0.0 111.545 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.1 104.9 17.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.777 -1.202 . . . . 0.0 108.916 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 18.2 p-10 -81.62 150.64 28.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.306 -0.871 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.472 179.609 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.875 0 N-CA-C 119.681 2.632 . . . . 0.0 119.681 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -80.1 157.65 26.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.262 -1.14 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.5 mp0 -60.81 -40.37 92.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.345 -0.847 . . . . 0.0 110.005 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.552 ' HG ' HG13 ' B' ' 14' ' ' VAL . 31.4 mt -70.06 -41.6 73.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.904 . . . . 0.0 111.15 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.69 -41.1 98.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.813 -1.179 . . . . 0.0 109.873 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.88 -39.94 96.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 110.982 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.93 87.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.966 -1.084 . . . . 0.0 110.293 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.98 -35.93 76.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.283 -0.886 . . . . 0.0 110.162 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.518 -1.364 . . . . 0.0 108.084 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -62.58 -39.98 95.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.651 -0.656 . . . . 0.0 110.035 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.37 -40.23 87.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.745 -1.222 . . . . 0.0 110.309 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.88 -40.13 91.31 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.032 -1.042 . . . . 0.0 111.624 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.525 HG13 ' HG ' ' B' ' 4' ' ' LEU . 21.5 t -69.92 -38.28 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.81 -1.181 . . . . 0.0 110.138 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.49 -39.99 68.07 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -65.39 -23.45 66.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.632 -0.668 . . . . 0.0 109.248 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 -55.21 38.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.952 -1.092 . . . . 0.0 109.879 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -74.18 -40.08 62.77 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.719 -1.238 . . . . 0.0 110.471 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 21' ' ' LYS . 61.6 m -82.83 -7.51 59.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.072 -1.018 . . . . 0.0 110.157 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -60.63 18.06 0.04 OUTLIER Glycine 0 N--CA 1.492 2.41 0 O-C-N 121.182 -0.949 . . . . 0.0 111.462 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 19' ' ' SER . 4.7 tmtm? -68.72 2.27 2.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.689 -1.477 . . . . 0.0 108.033 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 20' ' ' GLY . 86.4 mt-10 65.63 0.4 1.45 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.497 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -84.93 -88.56 0.88 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.428 -2.269 . . . . 0.0 107.428 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -101.59 109.57 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.08 -34.65 73.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.101 -1.0 . . . . 0.0 109.582 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' LYS . 62.3 m-85 -49.7 168.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 108.446 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.645 ' HZ3' ' CD2' ' A' ' 36' ' ' LEU . 17.0 tptp -51.6 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.739 -1.226 . . . . 0.0 109.64 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.33 -176.81 0.42 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.596 -1.315 . . . . 0.0 110.811 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -52.13 148.9 5.73 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 110.866 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.629 -0.67 . . . . 0.0 111.338 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.56 -52.45 61.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.593 -1.317 . . . . 0.0 111.031 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -39.96 94.62 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.055 . . . . 0.0 108.574 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.37 -45.05 55.03 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.382 -0.824 . . . . 0.0 109.463 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -60.02 -49.02 79.3 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.328 -1.482 . . . . 0.0 110.718 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.12 -28.6 66.69 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.55 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.645 ' CD2' ' HZ3' ' A' ' 27' ' ' LYS . 43.8 tp -70.53 -54.87 10.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 111.153 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.98 -51.14 70.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.648 -1.283 . . . . 0.0 110.342 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -58.72 -20.76 51.81 Favored 'General case' 0 C--N 1.277 -2.556 0 O-C-N 120.88 -1.137 . . . . 0.0 109.777 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.46 -31.98 32.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.209 -0.932 . . . . 0.0 109.828 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.84 -39.08 15.13 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.335 -0.853 . . . . 0.0 108.774 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -90.4 33.62 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.04 -40.08 88.15 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.246 -0.909 . . . . 0.0 110.695 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 32.4 t -64.2 -29.88 70.97 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.013 -1.054 . . . . 0.0 108.93 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 33.3 m-85 -60.01 -41.52 92.32 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 117.606 -1.638 . . . . 0.0 107.713 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.74 -2.33 0.22 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.978 -1.076 . . . . 0.0 108.779 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 44' ' ' PHE . 84.6 m-20 -59.95 -39.96 87.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.91 -1.119 . . . . 0.0 108.966 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.194 -0.941 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -62.91 123.47 18.58 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.148 0.975 . . . . 0.0 109.573 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -104.67 -47.73 3.98 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.704 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -97.07 86.55 3.99 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.182 -0.949 . . . . 0.0 109.526 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.51 -18.97 58.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.51 -39.94 73.82 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.7 -0.625 . . . . 0.0 109.419 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -50.84 58.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.257 -0.902 . . . . 0.0 108.93 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.3 t -59.44 -39.38 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.407 -0.808 . . . . 0.0 108.934 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.01 -39.96 87.59 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.249 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.17 -39.99 93.67 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.854 0.835 . . . . 0.0 109.026 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.1 mt -60.06 -50.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.803 -0.56 . . . . 0.0 110.373 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -23.91 57.74 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.553 -0.717 . . . . 0.0 110.198 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.03 -39.98 83.01 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.327 -0.858 . . . . 0.0 109.675 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.21 -48.46 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.075 -1.015 . . . . 0.0 111.339 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -73.45 -23.63 60.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.034 -1.041 . . . . 0.0 109.664 -179.163 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.42 -33.31 60.94 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.168 -0.958 . . . . 0.0 108.7 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.7 -40.0 90.6 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.742 0.782 . . . . 0.0 108.931 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 66' ' ' ASP . 37.6 p-10 -159.7 64.07 0.37 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -46.3 -16.18 0.16 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ASN . 95.5 m-20 -86.62 0.02 55.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.458 -1.024 . . . . 0.0 109.668 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -63.34 -145.23 0.02 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -155.72 154.26 31.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -134.98 154.21 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.24 0.95 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.215 -0.928 . . . . 0.0 109.939 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.2 p90 -60.03 -48.42 81.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.707 -0.621 . . . . 0.0 111.668 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.706 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -71.72 -29.15 64.23 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 120.379 -1.451 . . . . 0.0 109.279 -178.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 29.2 tp10 -82.17 -36.34 27.46 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -69.98 -38.95 76.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.805 . . . . 0.0 109.269 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.41 -41.34 56.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 121.352 -0.842 . . . . 0.0 110.584 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.97 -40.2 78.36 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 121.563 -0.711 . . . . 0.0 111.129 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.84 -35.82 64.85 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.364 -0.835 . . . . 0.0 109.785 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.05 -40.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.325 -0.859 . . . . 0.0 108.889 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.03 85.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 64.5 tp -62.38 -39.99 94.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.08 -1.012 . . . . 0.0 109.005 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -54.01 -37.52 64.13 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.106 -0.997 . . . . 0.0 108.469 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -27.44 37.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 81' ' ' LEU . . . -59.97 -39.93 87.34 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.941 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.623 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -143.71 65.17 1.32 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.939 -1.101 . . . . 0.0 108.97 -177.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.63 41.35 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.267 -0.895 . . . . 0.0 109.02 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.631 ' N ' HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -60.59 152.16 26.93 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.636 0.732 . . . . 0.0 111.36 -179.288 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -126.6 -56.33 1.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.429 0.633 . . . . 0.0 109.307 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -91.24 -18.08 24.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.222 -0.924 . . . . 0.0 110.546 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -88.14 46.32 1.37 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.815 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.86 150.07 47.2 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -65.87 153.31 42.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.034 -1.041 . . . . 0.0 109.511 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.35 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.644 2.618 . . . . 0.0 119.644 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.613 ' HG ' ' N ' ' B' ' 3' ' ' GLU . 6.3 t -80.17 157.53 26.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -1.094 . . . . 0.0 109.557 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.613 ' N ' ' HG ' ' B' ' 2' ' ' SER . 57.9 mp0 -60.61 -40.53 92.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.073 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.525 ' HG ' HG13 ' A' ' 14' ' ' VAL . 32.3 mt -70.01 -41.58 74.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.201 -0.937 . . . . 0.0 111.082 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.63 -41.09 98.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.87 -1.144 . . . . 0.0 109.917 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -62.98 -40.01 96.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.805 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -46.89 88.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.028 -1.045 . . . . 0.0 110.381 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.95 -36.07 76.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.34 -0.85 . . . . 0.0 110.227 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.697 -1.252 . . . . 0.0 108.003 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.56 -39.98 95.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mp -59.72 -40.07 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.531 -0.731 . . . . 0.0 110.04 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.435 HD13 HG23 ' B' ' 12' ' ' ILE . 90.7 mt -62.18 -40.34 87.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.784 -1.198 . . . . 0.0 110.249 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -65.72 -40.25 92.03 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 0.0 111.553 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.552 HG13 ' HG ' ' A' ' 4' ' ' LEU . 21.2 t -69.98 -38.09 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.728 -1.232 . . . . 0.0 110.266 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.59 -40.0 68.38 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.8 t-80 -65.41 -23.42 66.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -55.36 36.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.984 -1.073 . . . . 0.0 109.947 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.99 -40.22 63.11 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.814 -1.178 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.602 ' C ' ' H ' ' B' ' 21' ' ' LYS . 64.0 m -82.75 -7.58 59.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.196 -0.94 . . . . 0.0 110.251 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.579 ' C ' ' H ' ' B' ' 22' ' ' GLU . . . -60.55 17.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.279 -0.888 . . . . 0.0 111.484 -178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.602 ' H ' ' C ' ' B' ' 19' ' ' SER . 4.8 tmtm? -68.72 2.4 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.614 -1.521 . . . . 0.0 107.98 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' B' ' 20' ' ' GLY . 86.7 mt-10 65.65 0.21 1.41 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.527 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -84.81 -88.69 0.86 Allowed Glycine 0 N--CA 1.488 2.132 0 N-CA-C 107.463 -2.255 . . . . 0.0 107.463 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -101.33 109.36 21.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.978 . . . . 0.0 108.448 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -60.0 -34.68 73.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 109.636 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 62.1 m-85 -49.56 168.54 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.644 ' HZ3' ' CD2' ' B' ' 36' ' ' LEU . 17.1 tptp -51.73 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.709 -1.244 . . . . 0.0 109.567 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.29 -176.84 0.42 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.536 -1.352 . . . . 0.0 110.867 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -51.97 149.07 5.3 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.872 -1.143 . . . . 0.0 110.802 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -60.2 -40.01 88.55 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.577 -0.702 . . . . 0.0 111.384 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -63.46 -52.37 61.71 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.656 -1.278 . . . . 0.0 111.042 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -40.0 94.69 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.993 -1.067 . . . . 0.0 108.498 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.482 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -50.22 -45.1 53.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -60.0 -49.31 78.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.313 -1.492 . . . . 0.0 110.687 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.89 -28.72 66.42 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 118.306 -1.357 . . . . 0.0 109.648 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.644 ' CD2' ' HZ3' ' B' ' 27' ' ' LYS . 41.7 tp -70.53 -54.8 10.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.111 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.0 -51.06 71.26 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.698 -1.251 . . . . 0.0 110.284 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -58.7 -20.83 52.1 Favored 'General case' 0 C--N 1.278 -2.502 0 O-C-N 120.895 -1.128 . . . . 0.0 109.841 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.38 -32.1 33.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 109.826 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -38.59 15.44 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.329 -0.857 . . . . 0.0 108.806 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -90.61 33.57 0.91 Allowed 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.03 -40.28 88.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.329 -0.857 . . . . 0.0 110.656 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 31.1 t -64.02 -29.99 71.1 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.006 -1.059 . . . . 0.0 109.085 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.532 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 33.3 m-85 -59.98 -41.3 91.71 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.488 -1.685 . . . . 0.0 107.671 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.85 -2.24 0.22 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.008 -1.058 . . . . 0.0 108.866 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' B' ' 44' ' ' PHE . 84.9 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.001 -1.062 . . . . 0.0 108.926 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.141 -0.974 . . . . 0.0 109.728 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -63.19 123.46 18.69 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 122.128 0.966 . . . . 0.0 109.523 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -104.5 -47.92 3.96 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.685 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.0 86.47 3.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.21 -0.931 . . . . 0.0 109.576 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.41 -18.96 58.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.331 -0.856 . . . . 0.0 108.914 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.55 -40.05 73.61 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.699 -0.626 . . . . 0.0 109.314 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.17 -51.01 58.94 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.264 -0.897 . . . . 0.0 108.862 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.42 -39.33 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 119.743 -0.783 . . . . 0.0 108.896 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.99 -40.08 87.92 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.488 -0.757 . . . . 0.0 110.197 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -40.04 93.8 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.326 -0.858 . . . . 0.0 109.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.97 -50.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.725 -0.609 . . . . 0.0 110.513 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -23.77 58.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.08 -40.01 82.76 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.32 -0.863 . . . . 0.0 109.625 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.26 -48.34 76.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.156 -0.965 . . . . 0.0 111.302 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' B' ' 65' ' ' GLY . 1.0 OUTLIER -73.56 -23.83 60.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.026 -1.047 . . . . 0.0 109.616 -179.157 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.18 -33.55 61.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 0.0 108.785 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.769 0.795 . . . . 0.0 108.959 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' B' ' 66' ' ' ASP . 37.5 p-10 -159.72 64.17 0.37 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -46.24 -16.23 0.16 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.0 m-20 -86.84 0.09 55.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.465 -1.021 . . . . 0.0 109.648 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -63.34 -145.22 0.02 OUTLIER Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -155.72 154.33 31.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.323 -1.104 . . . . 0.0 110.085 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.99 154.11 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.432 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.23 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.146 -0.972 . . . . 0.0 109.919 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.7 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.1 p90 -60.02 -48.68 80.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.688 -0.633 . . . . 0.0 111.661 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.7 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -71.34 -29.31 64.84 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.273 -1.517 . . . . 0.0 109.443 -178.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.432 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 28.5 tp10 -82.05 -36.01 28.13 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.393 -0.817 . . . . 0.0 108.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -69.99 -39.28 76.02 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.778 0.799 . . . . 0.0 109.218 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.19 -41.5 58.39 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 O-C-N 121.401 -0.812 . . . . 0.0 110.487 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.9 t -70.02 -40.08 78.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.68 -0.637 . . . . 0.0 111.088 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.77 -36.07 65.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.406 -0.809 . . . . 0.0 109.795 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.88 -40.05 78.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 108.971 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.93 85.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' B' ' 84' ' ' ALA . 62.5 tp -62.52 -40.03 95.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 108.935 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -53.91 -37.49 63.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.968 -1.083 . . . . 0.0 108.527 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -27.43 38.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' B' ' 81' ' ' LEU . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.021 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.633 ' C ' ' H ' ' B' ' 87' ' ' ASN . 0.0 OUTLIER -143.75 65.05 1.32 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.021 -1.049 . . . . 0.0 108.93 -177.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -63.72 41.58 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.346 -0.846 . . . . 0.0 108.961 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.633 ' H ' ' C ' ' B' ' 85' ' ' CYS . 0.0 OUTLIER -60.87 152.38 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.533 0.683 . . . . 0.0 111.432 -179.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -126.67 -56.12 1.39 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.49 -18.0 24.84 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -88.19 46.35 1.37 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.962 -1.086 . . . . 0.0 109.904 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -70.01 150.03 47.08 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -65.97 153.25 42.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.98 . . . . 0.0 109.429 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.414 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.893 2.717 . . . . 0.0 119.893 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -92.64 160.18 15.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -1.218 . . . . 0.0 109.128 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.53 ' HB3' HG22 ' B' ' 14' ' ' VAL . 43.4 mt-10 -60.88 -50.0 75.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.118 -0.989 . . . . 0.0 110.466 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.877 ' CD1' ' CG1' ' B' ' 14' ' ' VAL . 6.2 mp -69.95 -41.54 74.42 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.994 -1.066 . . . . 0.0 110.82 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.66 -45.04 95.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.817 -1.177 . . . . 0.0 109.741 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.9 m -60.27 -39.9 88.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.568 -0.708 . . . . 0.0 109.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.19 88.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 110.461 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -42.82 95.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.938 -1.101 . . . . 0.0 110.361 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.9 -40.21 96.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.409 -0.807 . . . . 0.0 110.519 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 91.8 mt -59.65 -40.03 86.34 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.092 -1.005 . . . . 0.0 110.165 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.42 -46.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.94 -1.1 . . . . 0.0 110.807 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.023 -1.048 . . . . 0.0 110.284 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.852 ' CG1' HD13 ' B' ' 4' ' ' LEU . 75.4 t -64.07 -39.77 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.174 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 6.4 m-30 -57.12 -39.88 75.99 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.0 t60 -56.7 -29.31 62.27 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.42 69.74 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.011 -1.056 . . . . 0.0 110.167 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -78.71 -40.44 33.7 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.451 -1.405 . . . . 0.0 110.736 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 21' ' ' LYS . 22.3 m -100.88 17.47 22.08 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.059 -1.026 . . . . 0.0 111.085 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -56.35 -5.66 1.21 Allowed Glycine 0 N--CA 1.484 1.842 0 C-N-CA 118.673 -1.727 . . . . 0.0 109.537 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 19' ' ' SER . 87.8 tttt -68.52 121.46 16.42 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -59.75 -39.51 85.03 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -71.49 0.59 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -101.97 82.31 2.22 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.463 -1.022 . . . . 0.0 110.26 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.96 -24.63 63.37 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.928 -1.108 . . . . 0.0 108.951 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.434 ' O ' ' OG ' ' A' ' 19' ' ' SER . 75.2 m-85 -49.99 171.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 28.2 tptp -56.89 -80.97 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.092 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD11 ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -171.77 161.01 5.82 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.075 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.458 ' H ' HD11 ' A' ' 28' ' ' LEU . 16.5 m -50.09 148.3 3.47 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 177.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HZ3' ' CG1' ' A' ' 69' ' ' VAL . 45.4 mttm -53.29 -49.17 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.501 -1.374 . . . . 0.0 110.351 -178.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.38 -44.09 75.75 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.674 -1.266 . . . . 0.0 111.442 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -70.81 -40.1 72.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.817 -1.177 . . . . 0.0 109.71 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.2 tm? -54.51 -47.8 72.65 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.928 -0.483 . . . . 0.0 111.192 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.633 ' HZ2' ' CE ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.941 -1.724 . . . . 0.0 110.845 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.66 -27.63 67.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.619 -1.301 . . . . 0.0 109.51 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -59.91 2.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.639 -0.663 . . . . 0.0 111.41 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 10.9 mp -78.0 -39.81 41.02 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.571 -1.331 . . . . 0.0 113.075 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -54.52 -32.43 58.1 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.359 -1.463 . . . . 0.0 108.075 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -74.43 -39.86 62.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -35.91 75.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.12 31.58 1.88 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.909 -1.12 . . . . 0.0 110.475 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 67.6 m -61.45 -32.89 72.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 108.911 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' C ' ' H ' ' A' ' 46' ' ' ASP . 33.3 m-85 -59.84 -39.63 85.82 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.061 -1.456 . . . . 0.0 107.272 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 mt -57.39 -5.43 0.32 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 44' ' ' PHE . 65.0 m-20 -50.31 -34.91 25.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.02 -1.05 . . . . 0.0 108.893 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -140.02 100.58 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.244 -0.91 . . . . 0.0 110.451 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 10.2 pt20 -70.01 114.96 8.68 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.666 -1.272 . . . . 0.0 108.967 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 84' ' ' ALA . 35.9 mmtm -90.02 -79.76 0.33 Allowed 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.646 -0.659 . . . . 0.0 109.546 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -99.86 101.6 12.78 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 122.095 0.95 . . . . 0.0 110.14 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.05 -17.95 61.98 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -71.03 -39.99 71.98 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.691 -0.63 . . . . 0.0 109.32 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.4 -50.99 63.39 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.281 -0.887 . . . . 0.0 109.352 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.539 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -60.02 -36.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -60.22 -39.82 87.99 Favored 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.476 -0.765 . . . . 0.0 110.09 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.88 -40.0 83.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.901 -1.124 . . . . 0.0 109.076 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -40.08 82.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 109.554 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.633 ' CE ' ' HZ2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -60.53 -29.04 68.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.395 -0.815 . . . . 0.0 109.615 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.67 -39.48 88.54 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.979 -1.076 . . . . 0.0 109.892 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 65.4 mm-40 -68.12 -39.95 82.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.893 -1.129 . . . . 0.0 110.485 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.51 -30.32 68.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 111.617 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.1 t0 -92.44 -31.04 15.43 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.11 -0.994 . . . . 0.0 111.109 -177.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' CG ' HD21 ' A' ' 64' ' ' ASN . 18.5 pt-20 -70.22 -31.12 68.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.159 -0.963 . . . . 0.0 108.966 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.488 HD21 ' CG ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -159.45 53.34 0.38 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.477 -0.765 . . . . 0.0 109.178 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.72 -27.69 9.7 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -82.2 -3.14 54.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.426 -1.044 . . . . 0.0 110.204 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.96 -145.41 0.16 Allowed Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -157.61 155.18 29.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.123 -1.222 . . . . 0.0 111.289 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.579 ' CG1' ' HZ3' ' A' ' 30' ' ' LYS . 13.7 m -131.54 157.27 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 13.6 m-20 -124.96 -155.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 31.6 p90 -63.8 -45.51 89.36 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.39 -0.819 . . . . 0.0 112.373 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.65 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.2 tt0 -75.22 -32.29 61.12 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.387 -1.446 . . . . 0.0 109.553 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 71.9 mt-10 -78.5 -39.91 36.81 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.188 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -79.81 -31.87 40.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.63 -1.294 . . . . 0.0 108.535 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 71' ' ' PHE . 59.4 t -69.76 -39.92 78.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 C-N-CA 118.916 -1.114 . . . . 0.0 109.327 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.54 -40.13 81.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.413 -0.804 . . . . 0.0 109.844 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.59 -36.75 81.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.972 -1.08 . . . . 0.0 109.764 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.71 -40.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.324 -0.86 . . . . 0.0 109.628 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.77 87.07 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.98 84.21 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.61 -39.99 95.52 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.77 -1.206 . . . . 0.0 109.546 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -60.48 -40.04 89.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' CG1' ' CB ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -59.71 -37.26 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.605 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -70.02 -22.18 63.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.788 -0.57 . . . . 0.0 109.915 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.584 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.5 m -149.47 65.56 1.01 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -66.28 50.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 85' ' ' CYS . 63.3 t30 -57.01 136.91 56.3 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.412 0.625 . . . . 0.0 109.997 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.12 -82.28 0.23 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 50.5 t80 -90.28 -10.48 44.04 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.165 -0.959 . . . . 0.0 109.693 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.3 m0 -87.74 43.72 1.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.258 -0.901 . . . . 0.0 109.715 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -73.7 150.67 41.07 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 18.0 p-10 -68.75 152.32 45.48 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.947 -1.096 . . . . 0.0 110.005 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.428 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.953 0 N-CA-C 119.834 2.694 . . . . 0.0 119.834 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -92.36 160.14 15.25 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.035 -1.273 . . . . 0.0 109.2 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.503 ' HB3' HG23 ' A' ' 14' ' ' VAL . 43.7 mt-10 -61.14 -49.89 75.43 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.225 -0.922 . . . . 0.0 110.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.852 HD13 ' CG1' ' A' ' 14' ' ' VAL . 6.2 mp -70.11 -41.46 73.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.938 -1.101 . . . . 0.0 110.526 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.1 -45.74 93.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.854 -1.154 . . . . 0.0 109.842 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.1 m -59.94 -40.11 87.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.18 87.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.555 -0.716 . . . . 0.0 110.419 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -43.14 95.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.024 -1.047 . . . . 0.0 110.278 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.64 -40.15 96.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.042 -1.037 . . . . 0.0 110.189 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -64.98 -39.89 94.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.488 -0.758 . . . . 0.0 110.68 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.8 mt -60.07 -39.67 86.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.143 -0.973 . . . . 0.0 110.129 -178.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -46.42 96.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 O-C-N 121.001 -1.062 . . . . 0.0 110.644 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -61.23 -40.14 92.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.997 -1.065 . . . . 0.0 110.168 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.877 ' CG1' ' CD1' ' A' ' 4' ' ' LEU . 64.8 t -63.64 -39.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.391 -0.818 . . . . 0.0 110.18 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 6.5 m-30 -57.01 -40.11 76.02 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 20' ' ' GLY . 72.8 t60 -56.64 -29.27 62.06 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.99 -51.5 69.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.987 -1.071 . . . . 0.0 110.155 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -78.52 -40.74 34.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.564 -1.335 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.527 ' C ' ' H ' ' B' ' 21' ' ' LYS . 19.9 m -100.95 17.86 21.17 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -56.77 -5.0 1.1 Allowed Glycine 0 N--CA 1.484 1.864 0 C-N-CA 118.388 -1.863 . . . . 0.0 109.546 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' B' ' 19' ' ' SER . 88.2 tttt -68.57 121.34 16.21 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.48 -39.48 83.87 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.11 -72.3 0.48 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.64 82.76 2.32 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.397 -1.061 . . . . 0.0 110.287 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.96 -24.39 63.33 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.928 -1.108 . . . . 0.0 108.939 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' B' ' 19' ' ' SER . 73.4 m-85 -50.18 171.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.471 ' O ' ' OG ' ' B' ' 19' ' ' SER . 29.0 tptp -56.88 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.53 -1.356 . . . . 0.0 108.089 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.449 HD12 ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -171.34 161.0 6.35 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.99 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.449 ' H ' HD12 ' B' ' 28' ' ' LEU . 20.0 m -50.21 147.79 3.95 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 177.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HZ2' ' CG1' ' B' ' 69' ' ' VAL . 46.5 mttm -52.9 -49.25 66.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.311 -1.493 . . . . 0.0 110.522 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.19 -44.45 75.32 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.677 -1.264 . . . . 0.0 111.29 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.58 -39.91 73.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.87 -1.144 . . . . 0.0 109.758 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 2.2 tm? -54.46 -47.41 72.95 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.92 -0.487 . . . . 0.0 111.357 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.635 ' HZ2' ' CE ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -67.54 -40.09 85.02 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.036 -1.665 . . . . 0.0 110.652 -177.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.56 -27.7 67.17 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.657 -1.277 . . . . 0.0 109.455 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.04 -59.82 2.55 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 111.567 -178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 10.4 mp -78.45 -40.01 36.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.582 -1.323 . . . . 0.0 112.791 -177.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -53.8 -33.09 54.95 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 108.192 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -74.37 -40.0 62.38 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -35.47 76.87 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.84 31.43 2.1 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 m -60.11 -40.13 88.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.863 -1.148 . . . . 0.0 110.356 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.3 m -60.79 -33.24 72.68 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.507 ' C ' ' H ' ' B' ' 46' ' ' ASP . 33.8 m-85 -59.93 -39.63 86.18 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 118.236 -1.386 . . . . 0.0 107.38 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 mt -57.84 -5.23 0.38 Allowed 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' B' ' 44' ' ' PHE . 64.2 m-20 -50.13 -34.9 23.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.972 -1.08 . . . . 0.0 108.846 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.0 p -140.09 100.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.185 -0.947 . . . . 0.0 110.475 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 48' ' ' GLN . 10.1 pt20 -69.88 115.13 8.75 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.697 -1.252 . . . . 0.0 108.959 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 84' ' ' ALA . 35.4 mmtm -89.93 -79.95 0.33 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.574 -0.704 . . . . 0.0 109.486 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -99.62 101.52 12.75 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 122.156 0.979 . . . . 0.0 110.299 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.12 -17.85 61.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.347 -0.846 . . . . 0.0 108.991 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -71.29 -39.94 71.17 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.717 -0.614 . . . . 0.0 109.375 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.51 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.53 -51.0 63.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.41 -0.807 . . . . 0.0 109.214 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.535 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.9 OUTLIER -59.92 -37.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.84 -40.17 87.63 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.436 -0.79 . . . . 0.0 109.743 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.38 -39.95 85.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.937 -1.102 . . . . 0.0 109.374 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.14 -40.15 82.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.384 -0.823 . . . . 0.0 109.427 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.635 ' CE ' ' HZ2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -60.2 -29.64 68.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.625 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.1 -39.7 87.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.942 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 65.0 mm-40 -68.0 -39.98 83.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.999 -1.063 . . . . 0.0 110.594 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -69.34 -30.65 68.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.442 -178.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 49.4 t0 -92.18 -31.12 15.59 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.066 -1.021 . . . . 0.0 111.08 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.505 ' CG ' HD21 ' B' ' 64' ' ' ASN . 18.4 pt-20 -70.1 -31.36 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.136 -0.978 . . . . 0.0 109.082 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.505 HD21 ' CG ' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -158.99 53.71 0.41 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.563 -0.711 . . . . 0.0 109.117 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.97 -27.91 11.18 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -82.01 -2.9 53.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -1.036 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.46 -145.33 0.2 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -157.35 155.72 31.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.254 . . . . 0.0 111.487 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.603 ' CG1' ' HZ2' ' B' ' 30' ' ' LYS . 13.9 m -132.02 157.1 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.501 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 12.4 m-20 -124.67 -154.94 0.64 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 30.8 p90 -64.23 -45.09 89.72 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.404 -0.81 . . . . 0.0 112.349 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.644 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.1 tt0 -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.413 -1.429 . . . . 0.0 109.726 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 71.5 mt-10 -78.33 -39.91 38.13 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.137 -177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -80.04 -31.78 39.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.663 -1.273 . . . . 0.0 108.557 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' B' ' 71' ' ' PHE . 64.7 t -70.02 -40.06 78.08 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.252 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.29 -40.01 81.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.405 -0.809 . . . . 0.0 110.0 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.66 -37.15 81.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.984 -1.072 . . . . 0.0 109.855 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.28 -40.04 79.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 O-C-N 121.361 -0.837 . . . . 0.0 109.511 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.77 87.72 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.64 83.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.94 -40.18 96.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.637 -1.29 . . . . 0.0 109.539 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -60.16 -39.84 87.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.51 ' CG1' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -60.09 -37.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -70.02 -22.08 63.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' B' ' 87' ' ' ASN . 3.8 m -149.69 65.46 0.99 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.0 49.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' B' ' 85' ' ' CYS . 62.9 t30 -56.16 137.03 52.43 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.403 0.621 . . . . 0.0 109.974 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.15 -82.34 0.23 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.507 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 52.2 t80 -90.21 -10.5 44.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.188 -0.945 . . . . 0.0 109.518 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -87.39 42.58 1.05 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.233 -0.917 . . . . 0.0 109.911 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.98 150.01 44.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 17.1 p-10 -68.84 151.99 45.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.89 -1.132 . . . . 0.0 109.707 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.564 179.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.858 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -75.93 155.64 34.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -1.166 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.04 -44.18 94.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 110.029 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.461 ' N ' HG12 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -69.85 -40.04 76.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.013 -1.054 . . . . 0.0 109.399 -179.354 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.631 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 10.6 tp10 -59.96 -40.07 87.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.32 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.001 -1.062 . . . . 0.0 109.697 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.69 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.605 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.357 -0.84 . . . . 0.0 109.529 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.91 -40.0 87.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -59.91 -39.75 86.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.88 -39.99 87.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.001 -1.062 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -41.33 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.64 -1.287 . . . . 0.0 109.442 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -62.0 -40.0 94.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.401 -0.812 . . . . 0.0 111.253 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' N ' ' B' ' 4' ' ' LEU . 38.8 t -70.09 -39.95 77.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 O-C-N 120.481 -1.387 . . . . 0.0 111.523 -178.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -54.52 -37.11 64.98 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.438 -1.414 . . . . 0.0 107.614 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' GLY . 83.9 t60 -60.09 -39.76 87.22 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.331 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -53.51 57.56 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 111.031 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -74.73 -40.78 61.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.525 -1.359 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' ' 21' ' ' LYS . 58.2 m -89.67 -1.06 57.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.12 -0.988 . . . . 0.0 111.15 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -64.32 17.01 0.12 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.243 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 23' ' ' GLY . 9.0 mtpm? -70.53 1.85 4.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.73 -1.453 . . . . 0.0 108.856 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 20' ' ' GLY . 44.1 mm-40 64.57 -26.41 0.09 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.682 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -81.7 -71.5 1.29 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -88.7 71.59 8.74 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' TYR . 19.7 ttpp -60.02 -29.91 68.81 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.548 -0.72 . . . . 0.0 109.203 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 88.1 m-85 -54.52 -172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 28' ' ' LEU . 11.4 tppt? -67.1 -80.39 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.233 -1.542 . . . . 0.0 109.038 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD11 ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -174.86 177.71 1.97 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.517 ' H ' HD11 ' A' ' 28' ' ' LEU . 42.5 t -69.99 149.32 47.85 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 60' ' ' GLU . 3.0 mtmt -54.51 -40.11 68.24 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.395 -1.441 . . . . 0.0 109.596 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.98 -51.49 67.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.011 -1.68 . . . . 0.0 110.199 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.9 tp10 -66.01 -40.06 90.78 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.638 -1.289 . . . . 0.0 108.214 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -44.82 -41.59 7.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 5.9 tptp -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.144 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLU . 57.5 t0 -59.57 -33.95 72.07 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.692 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 9.2 mp -72.78 -56.08 5.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.363 -0.836 . . . . 0.0 111.659 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -47.47 85.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.87 -1.144 . . . . 0.0 111.679 -177.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.48 -17.22 63.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.546 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -81.72 -36.24 28.86 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.405 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.653 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 10.8 pt-20 -89.08 -6.7 56.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.089 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.7 29.99 7.37 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -41.09 91.41 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.303 -0.873 . . . . 0.0 110.954 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.436 ' HG ' ' N ' ' A' ' 44' ' ' PHE . 96.8 p -75.37 -35.84 61.04 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 108.971 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CD2' ' ND2' ' A' ' 87' ' ' ASN . 23.1 m-85 -60.42 -39.5 87.63 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.35 2.5 0.25 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 44' ' ' PHE . 79.8 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.954 -1.091 . . . . 0.0 109.223 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.57 99.31 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.333 -0.854 . . . . 0.0 109.903 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.5 115.02 6.65 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.09 -1.006 . . . . 0.0 108.783 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -91.66 -74.97 0.49 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.714 . . . . 0.0 110.006 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -98.03 104.27 16.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.02 -1.05 . . . . 0.0 109.927 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.82 -16.65 60.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -70.62 -39.55 73.68 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.03 60.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -59.92 -36.77 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 43.4 t0 -59.98 -40.07 87.88 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.619 -0.675 . . . . 0.0 110.259 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.14 -38.81 86.17 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.012 -1.055 . . . . 0.0 109.638 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.0 -40.05 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 121.573 -0.704 . . . . 0.0 109.35 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.622 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.75 -33.84 76.55 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.326 -0.859 . . . . 0.0 109.301 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -41.85 96.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.081 -1.012 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 71.6 mm-40 -60.1 -40.31 89.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.889 -1.132 . . . . 0.0 110.118 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' GLY . 18.6 mt -66.38 -25.21 66.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.041 0.924 . . . . 0.0 108.58 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.23 -29.14 38.43 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -59.99 -41.51 92.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.634 HD21 ' CA ' ' A' ' 67' ' ' GLY . 48.6 t30 -169.08 73.88 0.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -49.59 -25.65 6.78 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -87.42 0.16 55.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -1.094 . . . . 0.0 109.888 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.634 ' CA ' HD21 ' A' ' 64' ' ' ASN . . . -63.21 -152.34 0.05 OUTLIER Glycine 0 N--CA 1.477 1.421 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CG ' ' A' ' 26' ' ' TYR . 85.7 tt0 -146.91 152.76 39.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.498 -1.001 . . . . 0.0 110.454 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 m -133.68 160.32 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 90.5 m-20 -128.12 -160.11 0.99 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.34 0.59 . . . . 0.0 109.61 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.2 p90 -61.88 -45.09 95.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.81 . . . . 0.0 111.69 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.4 tt0 -70.8 -31.49 68.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.931 -1.106 . . . . 0.0 109.837 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.9 mt-10 -76.88 -35.68 57.26 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.987 -1.071 . . . . 0.0 108.887 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 56.9 t80 -69.94 -39.41 76.1 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.115 0.959 . . . . 0.0 109.407 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.84 -42.01 53.83 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.588 -0.695 . . . . 0.0 111.508 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.28 -40.91 78.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 121.548 -0.72 . . . . 0.0 110.598 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tp -74.4 -32.3 62.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 109.728 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 53.0 t -70.0 -40.23 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.302 -0.874 . . . . 0.0 109.187 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.91 95.88 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -60.79 -36.39 78.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.99 -37.73 75.79 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.403 -1.436 . . . . 0.0 108.969 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.01 -40.04 87.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.9 . . . . 0.0 110.178 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG22 ' OE1' ' B' ' 72' ' ' GLN . 1.4 p -58.43 -31.96 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 108.999 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.12 -24.22 64.08 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.866 -0.521 . . . . 0.0 110.465 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.554 ' C ' ' H ' ' A' ' 87' ' ' ASN . 1.5 m -147.74 52.62 1.04 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -67.55 46.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.594 ' N ' HD21 ' A' ' 87' ' ' ASN . 0.0 OUTLIER -41.12 117.09 0.82 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.4 -179.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -107.32 -59.97 1.75 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.722 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 64.9 t80 -85.76 -14.11 46.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.163 -0.961 . . . . 0.0 109.876 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 21.3 m-90 -96.48 41.15 1.11 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.17 -0.956 . . . . 0.0 109.766 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.35 143.89 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 0.0 109.267 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.661 ' N ' HD21 ' A' ' 92' ' ' ASN . 0.0 OUTLIER -70.11 154.05 42.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.208 -0.932 . . . . 0.0 110.008 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.593 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.889 0 N-CA-C 119.439 2.536 . . . . 0.0 119.439 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -75.82 155.2 35.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -1.132 . . . . 0.0 109.348 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -60.02 -43.98 94.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.905 . . . . 0.0 109.989 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.48 ' N ' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.991 -1.068 . . . . 0.0 109.464 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.653 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 10.6 tp10 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.254 -0.904 . . . . 0.0 110.183 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -60.04 -40.34 89.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.965 -1.084 . . . . 0.0 109.563 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.59 79.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.415 -0.803 . . . . 0.0 109.73 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.407 -0.808 . . . . 0.0 109.493 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.02 -39.8 87.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 0.0 108.718 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -59.98 -39.84 87.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.799 . . . . 0.0 109.591 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.02 87.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.955 -1.091 . . . . 0.0 109.869 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.99 -41.15 85.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.832 -1.167 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -62.42 -39.86 94.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.553 -0.717 . . . . 0.0 111.322 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 4' ' ' LEU . 40.7 t -70.03 -40.07 78.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.492 -1.38 . . . . 0.0 111.55 -178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -54.27 -37.18 64.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.482 -1.387 . . . . 0.0 107.595 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' B' ' 20' ' ' GLY . 83.5 t60 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -53.55 57.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.981 -1.075 . . . . 0.0 110.98 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -74.81 -40.57 61.02 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.442 -1.411 . . . . 0.0 110.844 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.552 ' C ' ' H ' ' B' ' 21' ' ' LYS . 53.7 m -89.76 -0.97 57.87 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.053 -1.029 . . . . 0.0 111.165 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -64.44 17.26 0.12 Allowed Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.227 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' B' ' 23' ' ' GLY . 9.2 mtpm? -70.79 1.94 4.82 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.648 -1.501 . . . . 0.0 108.756 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' B' ' 20' ' ' GLY . 43.9 mm-40 64.68 -26.33 0.09 Allowed 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.629 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -81.98 -71.44 1.3 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 24' ' ' ASP . 30.5 p-10 -88.55 71.67 8.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 17.4 ttpp -60.03 -29.87 68.79 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.513 -0.742 . . . . 0.0 109.173 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.46 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 87.1 m-85 -54.71 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' B' ' 28' ' ' LEU . 11.2 tppt? -66.77 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.378 -1.451 . . . . 0.0 109.071 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.499 HD11 ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -174.66 177.9 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' HD11 ' B' ' 28' ' ' LEU . 44.9 t -70.04 149.29 47.83 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.486 ' CE ' ' O ' ' B' ' 60' ' ' GLU . 2.8 mtmt -54.35 -40.46 68.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.337 -1.477 . . . . 0.0 109.651 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.7 -51.83 66.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.013 -1.68 . . . . 0.0 110.256 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 35' ' ' ASP . 54.7 tp10 -65.71 -40.3 92.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.633 -1.292 . . . . 0.0 108.162 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.42 ' CD2' ' C ' ' B' ' 33' ' ' LEU . 0.1 OUTLIER -44.45 -41.93 6.66 Favored 'General case' 0 C--O 1.2 -1.5 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' CD2' ' B' ' 33' ' ' LEU . 5.6 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 32' ' ' GLU . 58.3 t0 -59.58 -33.79 71.89 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.761 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' B' ' 36' ' ' LEU . 9.1 mp -72.77 -56.18 5.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.308 -0.87 . . . . 0.0 111.676 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.476 ' CD2' ' CE2' ' B' ' 74' ' ' PHE . 0.2 OUTLIER -60.05 -47.36 86.2 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.814 -1.179 . . . . 0.0 111.749 -177.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -69.4 -17.43 63.66 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 1.8 m -81.64 -36.03 29.31 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.549 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.631 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 10.6 pt-20 -89.41 -6.4 56.6 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.359 -0.838 . . . . 0.0 109.964 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.61 29.85 7.48 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.198 -0.939 . . . . 0.0 109.65 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -59.97 -41.31 91.67 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.321 -0.862 . . . . 0.0 110.965 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 96.2 p -75.03 -36.25 61.88 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.53 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.7 m-85 -60.0 -39.94 87.47 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.93 2.42 0.21 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' B' ' 44' ' ' PHE . 80.3 m-20 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.911 -1.118 . . . . 0.0 109.232 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.62 99.34 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.293 -0.879 . . . . 0.0 110.014 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.25 114.75 6.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.12 -0.987 . . . . 0.0 108.78 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -91.44 -75.18 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.672 -0.642 . . . . 0.0 109.806 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -98.08 104.4 16.43 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.047 -1.033 . . . . 0.0 109.961 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.65 -17.08 60.74 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.42 -39.8 74.22 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.25 58.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.352 -0.842 . . . . 0.0 109.463 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.493 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.9 OUTLIER -59.89 -36.72 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 44.1 t0 -60.0 -40.0 87.7 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.26 -38.73 85.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.911 -1.118 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 75.1 mt -59.97 -40.08 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.569 0.699 . . . . 0.0 109.395 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -63.81 -33.68 76.21 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.315 -0.865 . . . . 0.0 109.343 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.27 -41.65 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.056 . . . . 0.0 110.999 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.486 ' O ' ' CE ' ' B' ' 30' ' ' LYS . 71.8 mm-40 -60.05 -40.46 89.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 110.074 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 65' ' ' GLY . 16.2 mt -66.58 -24.97 66.42 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.05 -29.2 39.22 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.05 -41.49 92.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.635 HD21 ' CA ' ' B' ' 67' ' ' GLY . 48.3 t30 -169.27 74.16 0.09 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -26.02 7.06 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.29 0.45 55.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -1.097 . . . . 0.0 109.838 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.635 ' CA ' HD21 ' B' ' 64' ' ' ASN . . . -63.02 -152.54 0.05 OUTLIER Glycine 0 N--CA 1.479 1.515 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.46 ' OE2' ' CG ' ' B' ' 26' ' ' TYR . 85.8 tt0 -146.89 152.81 39.31 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.525 -0.985 . . . . 0.0 110.399 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 9.8 m -133.83 160.38 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.483 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 89.0 m-20 -128.08 -160.25 1.0 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.4 0.619 . . . . 0.0 109.664 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.2 p90 -61.67 -44.91 96.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 111.734 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.613 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 66.0 tt0 -71.1 -31.37 67.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.937 -1.102 . . . . 0.0 109.85 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.483 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 46.2 mt-10 -76.84 -35.93 57.18 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.008 -1.058 . . . . 0.0 108.864 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.487 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 59.6 t80 -69.66 -40.02 76.7 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.054 0.931 . . . . 0.0 109.35 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.28 -42.08 57.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 121.57 0.7 . . . . 0.0 111.618 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.27 -41.13 78.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.527 -0.733 . . . . 0.0 110.713 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.47 -32.05 62.44 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.506 -0.746 . . . . 0.0 109.758 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 53.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.295 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.81 95.46 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.446 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.405 0.621 . . . . 0.0 109.441 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.79 -37.94 76.48 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.335 -1.478 . . . . 0.0 108.989 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.156 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.45 HG22 ' OE1' ' A' ' 72' ' ' GLN . 1.4 p -58.47 -32.21 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.207 -0.933 . . . . 0.0 108.914 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.15 -23.83 64.0 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.761 -0.587 . . . . 0.0 110.473 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.563 ' C ' ' H ' ' B' ' 87' ' ' ASN . 1.7 m -147.79 52.4 1.04 Allowed 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -67.52 46.67 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.607 ' N ' HD21 ' B' ' 87' ' ' ASN . 0.0 OUTLIER -40.99 117.08 0.8 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -107.17 -59.97 1.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.236 -0.915 . . . . 0.0 109.713 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 64.7 t80 -85.84 -14.3 45.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.224 -0.923 . . . . 0.0 109.863 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -96.28 40.99 1.11 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.127 -0.983 . . . . 0.0 109.791 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -69.93 144.16 52.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 109.228 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.646 ' N ' HD21 ' B' ' 92' ' ' ASN . 0.0 OUTLIER -70.13 154.08 42.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.124 -0.985 . . . . 0.0 109.959 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.621 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.78 0 N-CA-C 118.234 2.053 . . . . 0.0 118.234 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.608 ' CB ' ' OE2' ' B' ' 40' ' ' GLU . 57.8 m -93.35 166.91 12.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.024 -1.28 . . . . 0.0 109.333 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.555 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 1.114 ' CD2' HD22 ' B' ' 37' ' ' LEU . 4.2 tp -79.24 -54.01 6.39 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 111.185 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.68 -39.62 89.13 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.866 -1.146 . . . . 0.0 109.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.7 m -60.66 -40.54 92.42 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.062 -1.024 . . . . 0.0 110.433 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.81 80.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 111.336 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.63 -39.39 88.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.116 -0.99 . . . . 0.0 110.335 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.8 -40.39 88.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.386 -1.446 . . . . 0.0 108.28 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -63.87 -37.3 86.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.694 -0.629 . . . . 0.0 109.482 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.7 mp -57.06 -44.38 82.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.547 -0.721 . . . . 0.0 109.89 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.5 -41.42 90.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 109.709 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -60.98 -40.99 95.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.261 -0.899 . . . . 0.0 112.054 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -71.14 -40.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.384 -1.447 . . . . 0.0 111.6 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 3.1 m-30 -58.42 -36.69 74.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -60.01 -33.88 72.6 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.0 63.19 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.899 -1.126 . . . . 0.0 109.649 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -71.58 -39.91 70.27 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.392 -1.443 . . . . 0.0 109.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.63 ' C ' ' H ' ' A' ' 21' ' ' LYS . 58.3 m -80.16 -11.8 59.71 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.186 -0.946 . . . . 0.0 110.56 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -59.06 11.63 0.02 OUTLIER Glycine 0 N--CA 1.489 2.171 0 C-N-CA 119.813 -1.184 . . . . 0.0 110.586 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.63 ' H ' ' C ' ' A' ' 19' ' ' SER . 83.6 tttt -55.64 -13.5 1.67 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.81 -1.406 . . . . 0.0 107.877 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 20' ' ' GLY . 56.0 tt0 79.4 -15.65 0.74 Allowed 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 114.369 -1.287 . . . . 0.0 108.681 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -75.26 -81.02 0.52 Allowed Glycine 0 N--CA 1.485 1.954 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -100.41 105.9 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -1.052 . . . . 0.0 108.499 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.63 -30.19 71.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.048 -1.032 . . . . 0.0 109.423 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -51.38 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -56.26 -79.72 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.369 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD11 ' H ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -173.29 158.8 3.65 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.328 -0.858 . . . . 0.0 109.434 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' H ' HD11 ' A' ' 28' ' ' LEU . 18.4 m -50.21 152.95 1.59 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.398 -1.439 . . . . 0.0 107.904 177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -58.25 -43.06 87.66 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.613 -1.305 . . . . 0.0 111.381 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -60.13 -46.61 89.06 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.267 -1.521 . . . . 0.0 110.719 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -71.16 -40.74 71.11 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.77 -1.206 . . . . 0.0 108.845 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -42.34 -48.54 5.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.623 -0.673 . . . . 0.0 109.514 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.21 -36.59 71.94 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.928 -1.108 . . . . 0.0 112.18 -178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.47 -40.21 95.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.324 -1.485 . . . . 0.0 110.932 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.58 -54.33 14.58 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.304 -0.872 . . . . 0.0 111.91 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 1.16 HD22 ' CD2' ' B' ' 4' ' ' LEU . 15.2 mt -72.03 -39.0 69.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 113.409 -176.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.66 -28.42 67.25 Favored 'General case' 0 C--N 1.284 -2.263 0 O-C-N 120.664 -1.272 . . . . 0.0 108.501 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 m -79.16 -43.83 23.17 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.745 ' CD ' ' HB3' ' B' ' 4' ' ' LEU . 85.3 tt0 -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.179 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.12 32.35 1.17 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.181 -0.95 . . . . 0.0 108.939 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 m -59.66 -39.99 86.27 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.675 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.464 ' HG ' ' N ' ' A' ' 44' ' ' PHE . 83.3 p -60.45 -32.7 71.64 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.251 -0.906 . . . . 0.0 109.07 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 56.4 m-85 -65.15 -39.03 92.42 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.12 -10.02 36.84 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 44.6 t0 -50.68 -32.47 19.39 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -163.69 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.266 -0.897 . . . . 0.0 110.004 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.8 124.63 24.49 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.136 -0.977 . . . . 0.0 109.833 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 84' ' ' ALA . 71.0 mmtt -81.24 -69.82 0.58 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -97.85 102.9 14.77 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.05 -1.031 . . . . 0.0 109.601 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -13.76 60.62 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -70.2 -39.87 74.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.87 12.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 108.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.515 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -57.11 -35.05 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.527 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 58.8 t0 -59.79 -40.14 87.29 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.81 -40.54 93.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.487 -0.758 . . . . 0.0 108.992 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.56 -41.01 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.03 -35.31 74.81 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.85 -1.157 . . . . 0.0 109.668 179.654 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 61.7 mttp -62.49 -40.76 97.71 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.246 -0.909 . . . . 0.0 111.937 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -70.4 -39.9 74.23 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.523 -1.36 . . . . 0.0 110.044 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 24.8 mt -68.5 -29.65 68.31 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.453 -0.779 . . . . 0.0 111.683 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -91.49 -33.46 15.19 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.088 -1.007 . . . . 0.0 110.312 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -28.43 64.89 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 108.959 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 67' ' ' GLY . 38.4 t30 -157.91 51.01 0.43 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.695 -0.628 . . . . 0.0 109.557 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.96 -28.24 11.8 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.09 0.1 33.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.452 -1.028 . . . . 0.0 109.005 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -62.92 -151.5 0.04 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -151.51 147.1 26.41 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.475 -1.014 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.72 147.71 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -123.16 -162.03 1.0 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 109.323 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.657 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 1.1 p90 -60.03 -49.42 77.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 111.187 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.4 tm0? -67.27 -38.09 84.52 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.696 -1.253 . . . . 0.0 109.481 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -72.85 -40.03 66.05 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -60.44 -35.92 76.97 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' B' ' 79' ' ' ALA . 40.3 t -74.81 -38.12 43.57 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.371 -0.831 . . . . 0.0 111.705 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.66 -45.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.585 -1.322 . . . . 0.0 111.4 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.38 -38.45 74.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.821 -1.174 . . . . 0.0 110.516 179.433 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.2 t -71.8 -35.37 54.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.025 -1.047 . . . . 0.0 110.099 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.462 ' HB1' ' CG1' ' B' ' 75' ' ' VAL . . . -63.62 -39.26 93.91 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.516 ' O ' HG11 ' A' ' 83' ' ' VAL . . . -68.13 -22.79 64.85 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 108.735 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -40.08 54.27 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.689 -1.257 . . . . 0.0 108.552 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.449 HG23 ' CE2' ' B' ' 71' ' ' PHE . 88.2 m -68.61 -40.98 80.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.979 -1.076 . . . . 0.0 110.985 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG11 ' O ' ' A' ' 80' ' ' ALA . 9.8 p -59.65 -38.43 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -58.14 -21.78 48.23 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.666 ' C ' ' H ' ' A' ' 87' ' ' ASN . 3.3 m -140.92 64.7 1.42 Allowed 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 71' ' ' PHE . 21.0 m120 -65.68 38.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.666 ' H ' ' C ' ' A' ' 85' ' ' CYS . 10.6 m-20 -56.06 122.15 11.0 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.745 -0.597 . . . . 0.0 110.25 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -110.48 -57.13 2.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -88.07 -10.45 50.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.571 -0.706 . . . . 0.0 110.185 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -104.29 32.43 4.03 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.302 -0.874 . . . . 0.0 109.615 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -92.27 116.69 29.18 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -81.1 148.28 29.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.956 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 117.896 -1.05 . . . . 0.0 109.284 -179.484 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.727 0 N-CA-C 119.014 2.366 . . . . 0.0 119.014 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.611 ' CB ' ' OE2' ' A' ' 40' ' ' GLU . 65.6 m -91.74 167.03 12.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.202 -1.175 . . . . 0.0 109.397 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -41.47 92.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.097 -1.002 . . . . 0.0 109.744 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 1.16 ' CD2' HD22 ' A' ' 37' ' ' LEU . 4.3 tp -77.84 -53.88 6.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 111.204 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.71 -39.48 88.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.976 -1.078 . . . . 0.0 109.636 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 2' ' ' SER . 94.2 m -61.23 -40.08 92.68 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.14 -0.975 . . . . 0.0 110.459 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.9 79.73 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 111.213 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 81.9 mmm -60.59 -38.15 83.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.887 -1.133 . . . . 0.0 110.639 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.385 -1.447 . . . . 0.0 108.336 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -65.23 -35.71 81.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.77 -0.581 . . . . 0.0 109.675 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -58.54 -43.76 89.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.666 -0.646 . . . . 0.0 109.893 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.78 -41.8 92.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 O-C-N 121.045 -1.034 . . . . 0.0 109.518 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -60.53 -41.28 94.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.364 -0.835 . . . . 0.0 112.069 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 t -70.96 -40.3 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.464 -1.398 . . . . 0.0 111.651 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 3.3 m-30 -58.93 -36.32 74.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.446 -1.409 . . . . 0.0 107.457 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.0 t-80 -59.83 -33.85 72.31 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.2 66.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.038 -1.039 . . . . 0.0 109.566 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -71.96 -40.2 68.81 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.383 -1.448 . . . . 0.0 109.966 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.618 ' C ' ' H ' ' B' ' 21' ' ' LYS . 51.0 m -79.99 -11.18 59.8 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.138 -0.977 . . . . 0.0 110.387 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.36 11.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.666 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.618 ' H ' ' C ' ' B' ' 19' ' ' SER . 86.7 tttt -55.36 -14.8 2.05 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.998 -1.295 . . . . 0.0 107.923 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' B' ' 20' ' ' GLY . 54.0 tt0 80.55 -16.69 0.63 Allowed 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.777 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -74.28 -80.88 0.47 Allowed Glycine 0 N--CA 1.485 1.937 0 N-CA-C 107.845 -2.102 . . . . 0.0 107.845 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -100.11 106.02 17.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.396 -1.061 . . . . 0.0 108.95 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.56 -30.19 71.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.142 -0.974 . . . . 0.0 109.789 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -52.46 175.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 19' ' ' SER . 26.6 tptt -55.34 -81.03 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 118.438 -1.305 . . . . 0.0 109.589 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.451 HD11 ' H ' ' B' ' 29' ' ' SER . 0.1 OUTLIER -172.25 158.66 4.53 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 121.269 -0.894 . . . . 0.0 109.396 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.451 ' H ' HD11 ' B' ' 28' ' ' LEU . 32.0 m -49.22 153.73 0.94 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.438 -1.414 . . . . 0.0 107.93 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -59.53 -42.57 92.59 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.263 . . . . 0.0 110.834 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -59.96 -47.37 86.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.156 -1.59 . . . . 0.0 110.742 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.7 tp10 -70.64 -40.54 73.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.706 -1.246 . . . . 0.0 108.716 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.9 tm? -42.55 -49.1 5.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.599 -0.688 . . . . 0.0 109.628 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.448 ' HZ1' ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -70.43 -36.91 74.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.899 -1.126 . . . . 0.0 112.116 -178.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.65 -40.2 96.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.332 -1.48 . . . . 0.0 110.825 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.54 -53.21 20.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.385 -0.822 . . . . 0.0 111.784 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 1.114 HD22 ' CD2' ' A' ' 4' ' ' LEU . 15.4 mt -72.32 -39.87 67.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.939 -1.1 . . . . 0.0 113.292 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -59.17 -28.25 66.43 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 120.816 -1.177 . . . . 0.0 108.53 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -79.39 -42.82 24.66 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.191 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.743 ' CD ' ' HB3' ' A' ' 4' ' ' LEU . 83.6 tt0 -71.36 -36.01 71.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.381 -0.824 . . . . 0.0 109.055 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.74 32.97 0.94 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m -60.16 -39.8 87.65 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.284 -0.885 . . . . 0.0 110.486 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 94.1 p -60.55 -32.8 71.85 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.185 -0.947 . . . . 0.0 108.981 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.515 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 56.2 m-85 -64.58 -39.42 93.69 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.89 -10.12 35.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 44.9 t0 -50.52 -32.3 17.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 5.0 p -164.05 92.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.35 -0.844 . . . . 0.0 110.197 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.18 124.16 23.44 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 121.087 -1.008 . . . . 0.0 109.685 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' B' ' 84' ' ' ALA . 68.9 mmtt -81.26 -69.66 0.59 Allowed 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -97.78 103.05 14.95 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 109.66 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.16 -14.46 60.96 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -70.51 -38.65 74.32 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -55.22 11.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.99 . . . . 0.0 108.9 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.501 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.9 OUTLIER -56.84 -35.16 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 57.9 t0 -60.14 -39.81 87.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.839 . . . . 0.0 108.997 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.42 -41.3 93.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.434 -0.791 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.17 -40.85 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 109.785 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.13 -35.76 75.99 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.85 -1.156 . . . . 0.0 109.805 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 62.2 mttp -62.63 -40.36 96.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.021 -1.05 . . . . 0.0 112.082 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.16 -40.1 74.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.523 -1.361 . . . . 0.0 109.958 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.463 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 22.9 mt -68.26 -29.23 67.99 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.505 -0.747 . . . . 0.0 111.637 -178.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.26 -32.24 15.11 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 110.426 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -29.02 64.89 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' B' ' 67' ' ' GLY . 40.7 t30 -157.4 51.31 0.46 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.71 -0.619 . . . . 0.0 109.347 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -27.48 10.36 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -81.18 2.01 29.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.334 -1.098 . . . . 0.0 108.836 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -64.56 -152.02 0.08 OUTLIER Glycine 0 N--CA 1.478 1.453 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -151.6 146.63 25.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.974 . . . . 0.0 110.77 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -128.8 148.0 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 -122.91 -161.38 0.95 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 1.1 p90 -60.22 -50.11 74.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.371 -0.831 . . . . 0.0 111.208 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.8 tm0? -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.818 -1.176 . . . . 0.0 109.567 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -72.64 -40.08 66.67 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -61.02 -33.43 73.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.462 ' CG1' ' HB1' ' A' ' 79' ' ' ALA . 38.3 t -77.65 -37.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 O-C-N 121.348 -0.845 . . . . 0.0 111.301 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.45 -42.98 73.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 120.728 -1.232 . . . . 0.0 111.111 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 77' ' ' LEU . 0.7 OUTLIER -72.73 -38.96 67.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.832 -1.168 . . . . 0.0 110.223 179.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -71.09 -36.45 63.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.007 -1.058 . . . . 0.0 109.963 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.474 ' HB2' ' CG1' ' A' ' 75' ' ' VAL . . . -62.73 -38.89 92.28 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.515 ' O ' HG11 ' B' ' 83' ' ' VAL . . . -68.09 -22.15 64.93 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.328 1.061 . . . . 0.0 108.665 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -39.97 45.76 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.736 -1.227 . . . . 0.0 108.574 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -68.59 -40.16 80.6 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.045 -1.034 . . . . 0.0 110.691 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.515 HG11 ' O ' ' B' ' 80' ' ' ALA . 9.2 p -60.05 -38.01 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -59.12 -21.68 59.67 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.678 ' C ' ' H ' ' B' ' 87' ' ' ASN . 3.4 m -140.15 63.36 1.48 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.657 ' ND2' ' CE1' ' A' ' 71' ' ' PHE . 20.6 m120 -64.97 38.02 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.678 ' H ' ' C ' ' B' ' 85' ' ' CYS . 11.2 m-20 -55.64 122.58 11.67 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.59 -0.694 . . . . 0.0 110.309 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -111.96 -55.93 2.45 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -88.6 -10.57 48.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.634 -0.666 . . . . 0.0 109.918 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -104.05 31.49 4.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.339 -0.85 . . . . 0.0 109.838 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -91.43 116.16 28.62 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -80.12 148.35 31.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.685 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.032 -179.764 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -80.1 169.36 17.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -1.16 . . . . 0.0 109.702 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -41.37 91.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 0.0 111.078 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' HB2' ' OE1' ' B' ' 40' ' ' GLU . 63.4 mt -72.78 -51.46 18.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.606 -1.309 . . . . 0.0 109.985 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.09 -40.25 88.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.006 -1.059 . . . . 0.0 110.07 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -61.24 -40.0 92.38 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 110.605 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.0 92.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 0.0 110.501 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtp -60.05 -38.54 83.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.172 -0.955 . . . . 0.0 110.214 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -40.01 88.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.131 -1.605 . . . . 0.0 108.264 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.27 -39.14 91.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.444 -0.785 . . . . 0.0 109.014 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 9.0 mp -56.81 -39.87 74.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.534 -0.729 . . . . 0.0 109.426 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mm -59.96 -46.12 94.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.909 -1.119 . . . . 0.0 110.002 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 0.0 110.784 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.2 t -62.98 -39.93 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 120.775 -1.203 . . . . 0.0 110.857 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' A' ' 19' ' ' SER . 2.8 m-30 -51.9 -37.6 53.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.434 -1.416 . . . . 0.0 107.514 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.9 t60 -56.69 -38.92 72.94 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.06 9.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.77 -1.206 . . . . 0.0 109.083 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -87.27 -45.96 10.14 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.07 -1.018 . . . . 0.0 110.595 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 15' ' ' PHE . 52.8 p -77.38 -38.85 49.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.069 -1.019 . . . . 0.0 111.537 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -50.96 -37.33 35.87 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -15.69 63.72 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.217 -1.166 . . . . 0.0 108.163 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' SER . 99.1 mt-10 -104.14 134.03 48.08 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.145 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.11 -6.98 6.15 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 22' ' ' GLU . 55.9 t0 -93.66 108.15 19.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.322 -1.105 . . . . 0.0 108.937 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -64.45 -39.67 94.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.374 -0.829 . . . . 0.0 109.659 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 27' ' ' LYS . 48.9 m-85 -51.34 169.99 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' TYR . 43.7 tptt -52.45 -93.92 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.586 -1.321 . . . . 0.0 108.855 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.05 -177.21 0.27 Allowed 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.763 -1.211 . . . . 0.0 110.425 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.16 146.56 14.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -59.97 -44.35 94.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.405 -0.81 . . . . 0.0 111.975 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.105 -1.622 . . . . 0.0 110.793 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -79.41 -27.68 41.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.027 -1.045 . . . . 0.0 109.819 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.7 tm? -59.69 -48.82 80.16 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.971 -1.081 . . . . 0.0 109.18 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.77 -38.83 90.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.58 -1.325 . . . . 0.0 109.922 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.326 -1.484 . . . . 0.0 110.572 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.46 -57.23 4.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.862 -1.149 . . . . 0.0 112.463 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -32.01 67.01 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.487 -1.383 . . . . 0.0 112.07 -177.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -60.05 -29.85 68.8 Favored 'General case' 0 C--N 1.281 -2.389 0 O-C-N 120.923 -1.111 . . . . 0.0 108.525 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -70.82 -40.07 72.69 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.149 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' OE1' ' HB2' ' B' ' 4' ' ' LEU . 3.8 pt-20 -85.3 -12.61 51.95 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.829 -1.17 . . . . 0.0 109.201 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.0 mt -100.88 17.35 22.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -60.11 -40.02 88.24 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 69.0 m -61.93 -39.96 93.87 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 28.0 m-85 -61.15 -39.99 92.16 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.14 -7.93 27.09 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 43' ' ' SER . 46.1 t0 -55.54 -38.6 69.49 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 p -145.84 87.45 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.877 -1.14 . . . . 0.0 110.182 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.31 120.56 15.32 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.318 -0.864 . . . . 0.0 109.766 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.1 -64.35 1.21 Allowed 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -99.98 99.55 10.32 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -18.82 61.81 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.429 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -70.95 -38.56 72.83 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.569 -0.707 . . . . 0.0 109.456 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.21 54.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.98 -40.17 92.45 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.836 -0.54 . . . . 0.0 110.671 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -66.48 -39.5 88.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.2 -0.938 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.01 -49.35 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 108.986 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttm -60.05 -28.0 67.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.891 -0.506 . . . . 0.0 109.682 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.82 -38.5 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.281 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.82 -40.1 79.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.838 -1.164 . . . . 0.0 111.506 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.535 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 2.2 mp -78.67 -21.63 47.98 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.55 -1.343 . . . . 0.0 110.015 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -86.96 -29.72 21.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.632 -1.292 . . . . 0.0 109.39 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -82.42 -28.64 31.24 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ASP . 19.4 m120 -143.08 39.47 1.46 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.379 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -46.86 -18.47 0.4 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ASN . 96.0 m-20 -89.78 0.85 56.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.186 -1.184 . . . . 0.0 109.633 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.13 -157.48 2.53 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -145.56 152.54 39.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.718 -0.872 . . . . 0.0 109.736 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.97 150.74 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.339 -0.85 . . . . 0.0 109.078 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.464 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 5.5 m-20 -120.73 -158.25 0.75 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.295 -0.878 . . . . 0.0 110.589 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.76 84.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.718 -0.614 . . . . 0.0 111.859 -177.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.662 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.0 -27.87 65.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.6 -1.312 . . . . 0.0 109.551 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 48.9 mp0 -78.73 -40.01 34.72 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.534 -0.729 . . . . 0.0 109.376 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -39.28 88.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.89 -42.69 46.53 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 O-C-N 121.664 -0.648 . . . . 0.0 111.654 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG23 HG13 ' B' ' 76' ' ' VAL . 54.4 t -70.22 -40.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.288 -0.883 . . . . 0.0 110.542 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt -70.77 -40.29 72.73 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.793 -0.567 . . . . 0.0 110.536 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -69.95 -40.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.72 93.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.53 -39.6 88.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.593 0.711 . . . . 0.0 109.169 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.14 -40.31 94.25 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.611 -1.305 . . . . 0.0 109.707 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.623 ' HG1' ' HE2' ' B' ' 8' ' ' MET . 94.6 m -62.42 -39.99 95.08 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.014 -1.053 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.594 ' N ' ' HZ ' ' B' ' 71' ' ' PHE . 2.8 p -50.37 -32.57 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.848 -1.157 . . . . 0.0 108.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.0 -22.62 61.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.982 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.612 ' C ' ' H ' ' A' ' 87' ' ' ASN . 87.1 m -131.04 21.18 4.9 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.222 -0.924 . . . . 0.0 109.564 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 82' ' ' THR . 48.8 t30 -60.09 5.93 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.988 -1.07 . . . . 0.0 109.698 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.612 ' H ' ' C ' ' A' ' 85' ' ' CYS . 59.3 t30 -46.22 107.07 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.3 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.544 ' C ' ' H ' ' A' ' 90' ' ' TRP . 58.1 t80 -59.96 -40.07 87.8 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' O ' ' N ' ' A' ' 91' ' ' GLU . 92.1 m-85 -73.38 20.41 0.09 Allowed 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.544 ' H ' ' C ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -57.22 40.24 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.748 -0.595 . . . . 0.0 111.744 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 89' ' ' PHE . 18.4 pt-20 -76.22 133.8 40.03 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.592 -1.317 . . . . 0.0 108.922 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -80.45 159.98 25.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.547 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -80.64 169.68 17.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -1.187 . . . . 0.0 109.661 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.09 -41.17 91.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.833 . . . . 0.0 111.05 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.501 ' HB2' ' OE1' ' A' ' 40' ' ' GLU . 61.5 mt -73.16 -51.16 18.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.664 -1.273 . . . . 0.0 109.96 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.02 -40.59 89.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 109.995 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -61.14 -39.97 92.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.85 . . . . 0.0 110.561 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.74 93.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.111 -0.993 . . . . 0.0 110.499 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.623 ' HE2' ' HG1' ' A' ' 82' ' ' THR . 67.4 mtp -60.03 -38.59 83.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.071 -1.018 . . . . 0.0 110.158 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.0 87.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.202 -1.561 . . . . 0.0 108.329 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -62.04 -39.52 92.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.417 -0.802 . . . . 0.0 109.051 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.465 ' O ' ' CE1' ' B' ' 15' ' ' PHE . 9.1 mp -56.65 -39.88 74.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.611 -0.681 . . . . 0.0 109.476 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.88 -46.18 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.94 -1.1 . . . . 0.0 110.003 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -59.98 -39.99 87.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.008 . . . . 0.0 110.882 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.2 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.8 -1.188 . . . . 0.0 110.815 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.546 ' O ' ' N ' ' B' ' 19' ' ' SER . 2.7 m-30 -51.85 -37.56 52.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.45 -1.406 . . . . 0.0 107.535 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' B' ' 20' ' ' GLY . 71.9 t60 -56.72 -38.69 72.69 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.8 -57.08 9.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.802 -1.186 . . . . 0.0 109.067 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -87.51 -45.77 10.19 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.998 -1.064 . . . . 0.0 110.633 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.63 ' HG ' ' N ' ' B' ' 20' ' ' GLY . 53.6 p -77.29 -39.01 49.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.089 -1.007 . . . . 0.0 111.534 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.63 ' N ' ' HG ' ' B' ' 19' ' ' SER . . . -50.83 -37.36 35.1 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -178.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -15.66 63.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.124 -1.221 . . . . 0.0 108.227 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 19' ' ' SER . 99.1 mt-10 -104.28 134.14 48.0 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.054 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -7.06 6.32 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' B' ' 22' ' ' GLU . 56.1 t0 -93.79 108.18 19.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -1.051 . . . . 0.0 108.893 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -64.5 -39.67 94.21 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.372 -0.83 . . . . 0.0 109.62 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' B' ' 27' ' ' LYS . 48.6 m-85 -51.38 169.95 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 44.0 tptt -52.35 -93.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.592 -1.318 . . . . 0.0 108.921 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.5 -177.16 0.24 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.754 -1.216 . . . . 0.0 110.33 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.435 ' HG ' ' N ' ' B' ' 30' ' ' LYS . 10.9 t -54.04 146.46 14.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.032 -1.042 . . . . 0.0 110.321 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.435 ' N ' ' HG ' ' B' ' 29' ' ' SER . 38.5 mtpt -60.04 -44.05 94.91 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.435 -0.79 . . . . 0.0 112.037 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -60.08 -39.92 87.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.109 -1.619 . . . . 0.0 110.778 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -79.63 -27.8 40.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.986 -1.071 . . . . 0.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.7 tm? -59.54 -49.12 79.01 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.874 -1.141 . . . . 0.0 109.138 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.512 -1.368 . . . . 0.0 109.968 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.93 -40.11 87.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.263 -1.523 . . . . 0.0 110.604 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.61 -57.05 4.74 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.888 -1.132 . . . . 0.0 112.459 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -32.19 67.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.512 -1.367 . . . . 0.0 112.15 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.02 -30.02 68.89 Favored 'General case' 0 C--N 1.281 -2.375 0 O-C-N 121.03 -1.044 . . . . 0.0 108.505 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.6 m -70.78 -39.99 72.86 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.3 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.513 ' OE1' ' HB2' ' A' ' 4' ' ' LEU . 3.9 pt-20 -85.17 -12.84 51.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.891 -1.13 . . . . 0.0 109.129 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -100.77 17.46 21.96 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.338 -0.852 . . . . 0.0 109.899 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 67.8 m -61.83 -39.97 93.66 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 27.6 m-85 -61.29 -39.98 92.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.23 -7.75 26.31 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 43' ' ' SER . 46.2 t0 -55.57 -38.49 69.41 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.084 -1.01 . . . . 0.0 109.217 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 4.4 p -146.06 87.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 120.987 -1.071 . . . . 0.0 110.136 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.61 120.5 15.49 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 121.254 -0.904 . . . . 0.0 109.883 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.562 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.3 mmmp? -79.96 -64.35 1.21 Allowed 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.1 99.55 10.29 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.03 -18.82 61.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.532 -0.73 . . . . 0.0 109.376 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.2 -38.44 72.06 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 109.45 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.41 51.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 109.246 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -40.3 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 50.3 t0 -60.91 -40.01 91.51 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.083 0.468 . . . . 0.0 110.758 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -66.84 -39.4 87.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.977 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.41 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 82.4 mt -59.94 -49.15 85.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.335 -0.853 . . . . 0.0 109.04 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttm -59.92 -28.34 67.52 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.822 -0.548 . . . . 0.0 109.698 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.31 -39.17 92.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.952 . . . . 0.0 110.249 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.66 -40.06 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.832 -1.167 . . . . 0.0 111.515 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.531 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 2.2 mp -78.54 -21.86 48.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.421 -1.424 . . . . 0.0 110.033 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -86.81 -29.83 21.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.657 -1.277 . . . . 0.0 109.383 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -82.41 -28.46 31.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.565 -0.709 . . . . 0.0 109.137 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' B' ' 66' ' ' ASP . 17.9 m120 -143.05 39.07 1.45 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.532 -0.73 . . . . 0.0 109.504 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -46.58 -18.8 0.39 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.1 m-20 -89.58 0.92 56.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.174 . . . . 0.0 109.632 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.18 -157.49 2.57 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -145.62 152.44 39.67 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.669 -0.9 . . . . 0.0 109.799 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -136.88 150.56 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.443 -0.785 . . . . 0.0 109.103 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.454 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 5.4 m-20 -120.56 -158.27 0.74 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.3 -0.875 . . . . 0.0 110.624 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.671 -0.643 . . . . 0.0 111.703 -177.587 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.655 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.03 -27.91 65.05 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.566 -1.334 . . . . 0.0 109.435 -179.438 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 48.4 mp0 -78.46 -40.04 36.76 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.428 -0.795 . . . . 0.0 109.554 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -39.06 88.12 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.94 -42.8 46.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 O-C-N 121.714 -0.617 . . . . 0.0 111.508 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.451 HG13 HG23 ' A' ' 76' ' ' VAL . 54.5 t -70.01 -40.37 78.46 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.252 -0.905 . . . . 0.0 110.602 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -71.3 -40.08 71.07 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.656 -0.652 . . . . 0.0 110.469 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.09 -39.88 77.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.179 -0.951 . . . . 0.0 109.333 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.86 94.13 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.45 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.49 -39.84 89.15 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.578 0.704 . . . . 0.0 109.233 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.75 -40.98 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.586 -1.321 . . . . 0.0 109.767 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.56 ' O ' ' N ' ' B' ' 86' ' ' ASN . 95.0 m -61.81 -39.99 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 110.308 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.563 ' N ' ' HZ ' ' A' ' 71' ' ' PHE . 2.4 p -50.39 -32.55 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.808 -1.182 . . . . 0.0 108.084 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.19 -22.65 61.24 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.969 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.621 ' C ' ' H ' ' B' ' 87' ' ' ASN . 83.4 m -131.02 21.26 4.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' B' ' 82' ' ' THR . 47.8 t30 -60.19 5.84 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.016 -1.053 . . . . 0.0 109.653 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.621 ' H ' ' C ' ' B' ' 85' ' ' CYS . 59.2 t30 -46.24 107.02 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.0 110.393 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.549 ' C ' ' H ' ' B' ' 90' ' ' TRP . 56.5 t80 -59.96 -40.08 87.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.643 ' O ' ' N ' ' B' ' 91' ' ' GLU . 92.2 m-85 -73.39 20.54 0.09 Allowed 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.549 ' H ' ' C ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -57.37 39.71 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.633 -0.667 . . . . 0.0 111.67 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.643 ' N ' ' O ' ' B' ' 89' ' ' PHE . 18.5 pt-20 -75.4 134.42 40.93 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.69 -1.256 . . . . 0.0 108.842 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -80.48 160.0 25.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.139 -0.976 . . . . 0.0 109.436 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.438 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.623 2.609 . . . . 0.0 119.623 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -86.9 52.48 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.306 -1.114 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.458 ' CG ' HG21 ' B' ' 14' ' ' VAL . 53.2 tp10 -63.32 -39.99 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.504 -0.748 . . . . 0.0 110.289 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -38.77 92.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 110.948 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.539 -1.351 . . . . 0.0 109.48 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -62.77 -40.11 96.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.276 -0.89 . . . . 0.0 111.116 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.43 68.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.009 -1.057 . . . . 0.0 111.358 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ttt -61.35 -38.44 86.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.954 -1.091 . . . . 0.0 109.982 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.384 -1.447 . . . . 0.0 107.791 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -63.17 -36.5 83.83 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 8.6 mp -59.84 -40.03 87.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.494 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.12 -42.26 89.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.867 -1.146 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.89 -40.01 91.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.164 -0.96 . . . . 0.0 111.089 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 t -69.43 -36.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.903 -1.123 . . . . 0.0 110.67 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.9 m-30 -52.08 -39.95 60.49 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 20' ' ' GLY . 68.0 t60 -61.97 -31.64 72.01 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.427 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.74 -57.57 9.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.676 -1.265 . . . . 0.0 109.236 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.02 -43.23 24.71 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.953 -1.092 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -75.28 -20.19 59.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.912 -1.118 . . . . 0.0 111.019 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -57.74 -35.83 76.29 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -71.02 -8.44 53.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.957 -1.319 . . . . 0.0 109.475 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.65 137.82 39.46 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.09 -42.87 82.84 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.22 139.97 30.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -1.106 . . . . 0.0 108.788 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.57 -9.0 58.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.232 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -55.74 153.99 7.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 108.987 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 26' ' ' TYR . 48.1 tptt -49.83 -93.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.121 -0.987 . . . . 0.0 108.949 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.46 -177.14 0.18 Allowed 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.023 -1.048 . . . . 0.0 110.455 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -54.53 145.03 19.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.45 -1.406 . . . . 0.0 110.858 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.66 -41.34 73.5 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.365 -0.834 . . . . 0.0 111.043 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.141 -1.599 . . . . 0.0 110.984 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -73.84 -26.04 60.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.841 -1.162 . . . . 0.0 109.37 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -59.95 -40.04 87.65 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.941 -1.1 . . . . 0.0 109.454 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.477 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -76.07 -48.38 21.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.044 -1.035 . . . . 0.0 111.894 -178.48 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.55 -38.19 86.55 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 120.144 -1.598 . . . . 0.0 109.269 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.32 -55.69 19.56 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.505 -0.747 . . . . 0.0 111.265 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.03 -39.97 75.45 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.614 -1.304 . . . . 0.0 111.924 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -58.32 -28.3 64.93 Favored 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.843 -1.161 . . . . 0.0 108.296 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.29 -40.02 52.68 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.83 0.824 . . . . 0.0 108.994 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -79.82 -9.75 59.7 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.411 0.624 . . . . 0.0 109.326 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -113.66 28.8 8.48 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -60.05 -40.38 89.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.582 -0.699 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -66.37 -28.25 68.5 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 108.775 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.84 -39.99 79.67 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.31 -7.73 4.78 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 43.5 t0 -49.21 -32.09 9.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 0.0 108.824 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.79 93.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.981 -1.074 . . . . 0.0 110.113 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.33 108.74 3.33 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.401 -0.812 . . . . 0.0 108.943 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 84' ' ' ALA . 66.1 mmtt -80.13 -69.51 0.59 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.695 -0.628 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -99.96 100.78 11.72 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.165 -0.96 . . . . 0.0 110.222 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.37 -24.75 63.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 109.183 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -63.7 -40.07 95.88 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.474 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.71 -51.65 67.53 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.507 ' O ' ' SD ' ' A' ' 58' ' ' MET . 51.2 t -51.3 -37.51 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -62.13 -40.02 94.51 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.356 0.598 . . . . 0.0 109.821 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -63.74 -42.21 97.91 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.911 0.862 . . . . 0.0 109.466 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.04 -43.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.705 -0.622 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.79 -29.49 69.47 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.11 -46.65 88.91 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 110.235 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.67 -40.18 96.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.016 -1.052 . . . . 0.0 111.153 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.63 -24.83 67.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.919 -1.113 . . . . 0.0 108.032 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.81 -29.17 32.77 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.1 88.16 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -173.18 76.99 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.137 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -51.18 -25.83 11.8 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 67' ' ' GLY . 35.0 p-10 -89.42 0.94 56.48 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.658 -0.907 . . . . 0.0 109.094 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -61.98 -150.72 0.02 OUTLIER Glycine 0 N--CA 1.479 1.525 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.1 158.86 44.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.166 -1.196 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.39 158.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 29.2 t0 -128.55 -157.46 0.82 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.442 -0.786 . . . . 0.0 109.985 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.1 p90 -60.0 -44.74 94.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 112.853 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.647 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.1 tt0 -78.01 -26.26 48.41 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.522 -1.362 . . . . 0.0 109.565 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.0 mt-10 -80.31 -40.0 27.63 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 118.916 -1.113 . . . . 0.0 110.346 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -77.4 -35.83 53.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.907 -1.121 . . . . 0.0 108.542 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 71' ' ' PHE . 70.1 t -71.02 -40.67 76.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.147 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.24 -39.93 77.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 109.88 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.8 -37.82 82.5 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.707 -0.62 . . . . 0.0 110.219 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.0 t -69.32 -39.89 79.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.398 -0.814 . . . . 0.0 109.117 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.84 87.42 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.93 88.27 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 1.9 tt -63.6 -34.78 78.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.938 -1.101 . . . . 0.0 108.898 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.4 m -59.97 -33.94 72.62 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.812 -1.18 . . . . 0.0 108.687 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG2' ' OE1' ' B' ' 72' ' ' GLN . 0.3 OUTLIER -59.98 -38.54 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.3 -20.98 63.89 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.637 ' C ' ' H ' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -141.89 60.19 1.47 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -68.84 42.33 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.637 ' H ' ' C ' ' A' ' 85' ' ' CYS . 34.8 p-10 -53.92 144.65 18.27 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.586 0.708 . . . . 0.0 111.052 -178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -138.72 -61.11 0.58 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.34 -10.32 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.42 -0.8 . . . . 0.0 109.31 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.5 m-90 -88.7 45.04 1.25 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.248 -0.907 . . . . 0.0 109.574 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.0 145.9 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.617 -0.677 . . . . 0.0 109.195 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -69.99 159.51 33.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.499 -179.757 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.88 0 N-CA-C 119.538 2.575 . . . . 0.0 119.538 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -87.2 52.85 2.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.291 -1.123 . . . . 0.0 109.221 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.4 -39.97 95.93 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.534 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.43 -38.7 91.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.992 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.398 -1.439 . . . . 0.0 109.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -62.75 -40.02 95.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 111.076 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.07 -46.8 66.91 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.983 -1.073 . . . . 0.0 111.177 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttt -60.94 -38.66 86.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 0.0 110.024 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.72 -40.05 86.7 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.482 -1.387 . . . . 0.0 107.783 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.39 -36.27 83.15 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 8.6 mp -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 0.0 109.494 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.419 HG23 HD12 ' B' ' 12' ' ' ILE . 96.6 mt -60.06 -42.23 89.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.92 -1.113 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.9 -40.09 91.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -0.909 . . . . 0.0 111.073 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.458 HG21 ' CG ' ' A' ' 3' ' ' GLU . 15.4 t -69.48 -36.44 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.847 -1.158 . . . . 0.0 110.76 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.8 m-30 -51.97 -39.97 60.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' B' ' 20' ' ' GLY . 67.8 t60 -62.09 -31.6 72.05 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.424 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.78 -57.55 9.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.709 -1.244 . . . . 0.0 109.175 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.14 -43.08 24.75 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.947 -1.095 . . . . 0.0 110.614 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -75.23 -20.15 59.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.884 -1.135 . . . . 0.0 111.046 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -57.69 -36.14 77.34 Favored Glycine 0 N--CA 1.488 2.13 0 C-N-CA 119.626 -1.274 . . . . 0.0 110.109 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -70.95 -8.06 50.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.008 -1.289 . . . . 0.0 109.551 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -102.0 137.74 39.89 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.89 -42.7 80.65 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.14 139.96 30.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -1.127 . . . . 0.0 108.945 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.52 -9.09 58.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.141 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -55.9 153.71 8.25 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 109.034 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 26' ' ' TYR . 47.7 tptt -49.49 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.052 -1.03 . . . . 0.0 108.85 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.409 ' O ' ' CG2' ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.28 -177.15 0.17 Allowed 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.958 -1.089 . . . . 0.0 110.434 179.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -54.43 144.96 19.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.416 -1.427 . . . . 0.0 110.831 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -55.56 -41.46 73.32 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.408 -0.807 . . . . 0.0 111.041 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 65' ' ' GLY . 44.6 tptt -59.97 -48.39 81.9 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.095 -1.628 . . . . 0.0 111.027 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -73.89 -25.89 60.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.81 -1.181 . . . . 0.0 109.337 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 0.0 109.679 179.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.467 ' N ' ' CD2' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -76.3 -48.28 20.66 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.987 -1.071 . . . . 0.0 111.893 -178.504 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 -37.66 84.77 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.2 -1.562 . . . . 0.0 109.282 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.91 -55.59 18.38 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.459 -0.776 . . . . 0.0 111.254 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.0 -39.92 75.6 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.568 -1.333 . . . . 0.0 111.966 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -58.34 -28.28 64.94 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.944 -1.097 . . . . 0.0 108.381 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.1 m -76.26 -40.0 52.93 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.843 0.83 . . . . 0.0 109.028 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -79.87 -9.75 59.7 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.76 29.23 8.15 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.148 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 82.9 p -66.1 -28.79 69.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 108.708 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -68.4 -39.97 81.47 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.49 -7.65 4.93 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 43.4 t0 -49.24 -32.07 9.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 108.765 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.79 92.69 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.971 -1.08 . . . . 0.0 110.284 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -67.87 108.38 2.99 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.287 -0.883 . . . . 0.0 109.185 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' O ' ' B' ' 84' ' ' ALA . 65.9 mmtt -80.04 -69.66 0.57 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -100.04 101.02 11.98 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.056 -1.027 . . . . 0.0 110.129 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -24.57 62.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 109.065 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.94 -40.02 95.49 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.54 -51.66 67.66 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.505 ' O ' ' SD ' ' B' ' 58' ' ' MET . 52.9 t -51.46 -36.97 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.66 -39.93 95.47 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.255 0.55 . . . . 0.0 109.685 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.68 -42.46 98.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.967 0.889 . . . . 0.0 109.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.46 -44.18 95.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.612 -0.68 . . . . 0.0 110.727 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.68 -29.77 69.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.179 -0.95 . . . . 0.0 109.164 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.58 -40.17 96.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.97 -1.081 . . . . 0.0 111.218 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.64 -24.92 67.15 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -81.74 -29.07 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.06 -40.0 87.92 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' B' ' 67' ' ' GLY . 0.3 OUTLIER -173.34 76.55 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.262 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -50.91 -26.11 10.69 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.364 -1.895 . . . . 0.0 108.364 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 67' ' ' GLY . 34.8 p-10 -88.94 0.77 56.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.7 -0.883 . . . . 0.0 109.077 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -61.88 -150.46 0.02 OUTLIER Glycine 0 N--CA 1.48 1.601 0 N-CA-C 107.958 -2.057 . . . . 0.0 107.958 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.39 159.18 43.99 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.044 -1.268 . . . . 0.0 110.917 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' B' ' 28' ' ' LEU . 2.9 m -143.67 158.39 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 27.8 t0 -128.63 -157.79 0.84 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.431 -0.793 . . . . 0.0 109.922 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.651 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.7 p90 -60.03 -44.39 94.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.774 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.651 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.9 tt0 -78.09 -26.18 47.97 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.535 -1.353 . . . . 0.0 109.614 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.502 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -80.54 -39.9 26.95 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.262 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -77.71 -35.41 52.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.889 -1.132 . . . . 0.0 108.419 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' B' ' 71' ' ' PHE . 68.9 t -71.1 -40.86 75.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.132 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.9 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.419 -0.8 . . . . 0.0 109.921 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.05 -37.9 81.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.384 0.612 . . . . 0.0 110.195 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.06 -39.94 80.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 109.229 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.34 88.87 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.43 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 1.9 tt -63.26 -34.7 78.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.898 -1.126 . . . . 0.0 108.94 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -60.04 -34.12 72.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.664 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.575 ' CG2' ' OE1' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -59.99 -38.55 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.33 -20.87 63.87 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.633 ' C ' ' H ' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -141.96 60.23 1.47 Allowed 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.715 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -68.83 42.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.633 ' H ' ' C ' ' B' ' 85' ' ' CYS . 34.8 p-10 -54.1 144.55 19.25 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.714 . . . . 0.0 110.989 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -138.53 -61.21 0.59 Allowed 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.33 -10.05 45.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.388 -0.82 . . . . 0.0 109.303 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -89.15 45.14 1.26 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.247 -0.908 . . . . 0.0 109.664 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.9 146.2 51.41 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.27 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -69.95 159.27 34.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.258 -0.901 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.441 -179.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -95.69 167.76 11.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.258 -1.142 . . . . 0.0 109.107 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' OE1' ' HB1' ' B' ' 17' ' ' ALA . 98.8 mt-10 -60.22 -50.06 75.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 110.371 -179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.58 ' CD1' HG13 ' B' ' 14' ' ' VAL . 3.7 mm? -74.88 -44.75 47.18 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.886 -1.134 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.62 -41.35 94.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.063 -1.023 . . . . 0.0 110.044 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.0 m -60.25 -40.37 90.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 0.0 110.363 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.13 96.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.3 -0.875 . . . . 0.0 109.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -62.05 -40.93 97.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.815 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.57 -40.14 90.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.346 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.8 m -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.396 -0.815 . . . . 0.0 110.575 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.261 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 12' ' ' ILE . 82.0 mt -60.07 -40.83 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.814 -1.179 . . . . 0.0 108.946 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.39 -31.51 72.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 0.0 110.079 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' B' ' 4' ' ' LEU . 62.7 t -59.93 -49.63 83.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.654 -1.279 . . . . 0.0 110.447 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.7 m-85 -57.31 -24.44 55.04 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.03 -40.08 88.13 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.584 0.707 . . . . 0.0 109.493 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.45 -59.08 3.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.341 -0.849 . . . . 0.0 112.209 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.29 -63.03 1.37 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.73 -1.231 . . . . 0.0 111.899 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 21' ' ' LYS . 64.6 m -72.64 -13.13 61.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.347 -0.846 . . . . 0.0 111.639 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.556 ' C ' ' H ' ' A' ' 22' ' ' GLU . . . -66.18 15.22 0.28 Allowed Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.512 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.578 ' C ' ' H ' ' A' ' 23' ' ' GLY . 4.6 tmtt? -75.69 11.9 1.2 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.942 -1.328 . . . . 0.0 107.756 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' A' ' 20' ' ' GLY . 34.5 tt0 60.67 -4.95 0.11 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -76.28 -85.94 0.37 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -100.81 105.03 16.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.507 -0.996 . . . . 0.0 108.581 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.74 -39.96 95.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.838 -1.164 . . . . 0.0 109.258 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 27' ' ' LYS . 7.1 m-85 -52.58 171.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 26' ' ' TYR . 17.7 tptp -51.88 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.389 -1.444 . . . . 0.0 108.434 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.55 -178.53 0.21 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.722 -1.236 . . . . 0.0 110.257 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.524 ' HG ' ' H ' ' A' ' 32' ' ' GLU . 54.1 p -47.7 144.66 3.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.948 -1.095 . . . . 0.0 109.324 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 10.3 mtmm -60.06 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.979 -1.075 . . . . 0.0 109.988 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -55.19 -41.3 71.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.126 . . . . 0.0 110.877 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.524 ' H ' ' HG ' ' A' ' 29' ' ' SER . 55.7 tp10 -72.14 -34.93 68.91 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.927 -1.108 . . . . 0.0 109.12 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -60.09 -44.67 94.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.0 . . . . 0.0 110.714 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HZ2' ' CD1' ' A' ' 81' ' ' LEU . 3.6 tptp -69.91 -39.9 75.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.064 -1.648 . . . . 0.0 111.103 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -63.99 -39.85 95.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.649 -1.282 . . . . 0.0 109.573 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -68.13 -56.55 8.38 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.871 -0.518 . . . . 0.0 111.868 -177.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.66 -39.94 64.07 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.482 -1.386 . . . . 0.0 112.174 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -53.43 -30.79 42.24 Favored 'General case' 0 C--N 1.287 -2.138 0 O-C-N 121.077 -1.015 . . . . 0.0 108.301 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -74.66 -41.0 61.11 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.721 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -73.45 -30.73 63.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 108.805 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.2 mt -95.82 27.62 3.44 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.709 0.766 . . . . 0.0 108.983 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.83 -40.01 87.02 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.426 -0.796 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 44.2 m -59.79 -27.81 66.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.02 -1.05 . . . . 0.0 109.235 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 29.0 m-85 -63.79 -16.64 61.73 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 117.909 -1.517 . . . . 0.0 107.214 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.99 -4.2 42.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' SER . 92.2 m-20 -59.92 -39.87 86.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.674 -0.641 . . . . 0.0 109.871 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.89 75.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.027 -1.046 . . . . 0.0 110.168 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.18 116.97 8.57 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 84' ' ' ALA . 20.1 mtpt -97.05 -66.66 0.89 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.826 -0.546 . . . . 0.0 110.65 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -94.46 96.09 9.27 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.661 -1.275 . . . . 0.0 109.511 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.82 61.93 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.151 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.4 -40.01 77.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.87 -52.53 42.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.252 -0.905 . . . . 0.0 109.19 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -60.84 -40.17 91.82 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.59 -0.694 . . . . 0.0 109.971 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.21 -38.57 88.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.093 -1.004 . . . . 0.0 109.011 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -59.08 -39.93 79.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.13 -0.981 . . . . 0.0 109.407 178.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.2 -40.02 92.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.173 -0.954 . . . . 0.0 110.847 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.93 -40.57 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.633 -1.292 . . . . 0.0 110.882 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -70.04 -30.22 67.45 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.156 -0.965 . . . . 0.0 111.292 -179.221 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.99 -28.92 16.11 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.962 -1.086 . . . . 0.0 111.434 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.2 -34.01 74.22 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.126 -0.984 . . . . 0.0 108.383 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -159.55 67.82 0.4 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.59 -23.1 54.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 43.2 t0 -80.37 -2.68 46.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -1.099 . . . . 0.0 109.376 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.5 0.18 Allowed Glycine 0 N--CA 1.484 1.878 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -157.72 158.48 35.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -1.13 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -129.91 147.9 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 5.8 m-20 -121.6 -171.76 2.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.409 -0.807 . . . . 0.0 109.612 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.708 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 37.7 p90 -49.39 -54.18 18.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.668 -0.645 . . . . 0.0 112.026 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.708 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.07 -27.99 65.06 Favored 'General case' 0 C--N 1.289 -2.034 0 O-C-N 120.848 -1.157 . . . . 0.0 109.865 -178.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 47.1 tt0 -81.43 -36.2 29.73 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.394 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -34.98 73.92 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.2 -42.43 51.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 O-C-N 121.576 -0.703 . . . . 0.0 111.172 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.06 -41.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 O-C-N 121.442 -0.786 . . . . 0.0 110.705 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.95 -38.45 76.14 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.631 -0.668 . . . . 0.0 110.421 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.01 -39.9 77.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 108.787 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.89 87.18 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' CD1' ' HZ2' ' A' ' 34' ' ' LYS . 7.1 tt -61.81 -40.04 93.85 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.938 -1.101 . . . . 0.0 109.303 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -60.13 -39.23 85.56 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.245 -0.909 . . . . 0.0 109.724 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.511 ' CG1' ' CB ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -55.24 -33.89 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.978 . . . . 0.0 108.454 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.87 -22.08 63.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.583 -0.698 . . . . 0.0 109.403 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.659 ' C ' ' H ' ' A' ' 87' ' ' ASN . 14.3 t -144.53 62.46 1.33 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -68.32 37.98 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.773 -1.204 . . . . 0.0 108.032 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.659 ' H ' ' C ' ' A' ' 85' ' ' CYS . 29.9 p30 -41.27 112.23 0.29 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.538 0.685 . . . . 0.0 111.302 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -93.68 -68.35 0.81 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.42 -40.76 96.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.479 -0.763 . . . . 0.0 109.528 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 12.9 m-90 -85.81 52.27 2.43 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.467 -0.771 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.66 146.79 53.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.198 -0.939 . . . . 0.0 109.497 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -68.48 155.79 39.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.439 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--N 1.302 -1.468 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.224 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.897 0 N-CA-C 119.414 2.525 . . . . 0.0 119.414 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.93 167.7 11.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.229 -1.159 . . . . 0.0 109.145 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.561 ' CD1' HG13 ' A' ' 14' ' ' VAL . 3.7 mm? -75.06 -44.79 45.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.843 -1.16 . . . . 0.0 110.053 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.74 -41.42 95.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.932 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -60.17 -40.9 91.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.063 -1.023 . . . . 0.0 110.221 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.99 94.31 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.165 -0.959 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.28 -40.53 96.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.866 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.01 -40.03 92.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.353 -0.842 . . . . 0.0 110.095 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -59.98 -40.1 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.862 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.149 -0.969 . . . . 0.0 109.165 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.01 -40.83 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.858 -1.151 . . . . 0.0 108.992 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -62.56 -31.32 72.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 0.0 110.089 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.58 HG13 ' CD1' ' A' ' 4' ' ' LEU . 57.7 t -60.0 -49.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.662 -1.274 . . . . 0.0 110.397 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 8.3 m-85 -57.57 -24.44 56.23 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 109.584 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' OE1' ' A' ' 3' ' ' GLU . . . -70.26 -59.42 2.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.277 -0.889 . . . . 0.0 112.191 -177.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -86.56 -63.24 1.34 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.756 -1.215 . . . . 0.0 112.01 -178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.572 ' C ' ' H ' ' B' ' 21' ' ' LYS . 69.6 m -72.53 -13.18 61.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 111.742 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' B' ' 22' ' ' GLU . . . -66.12 15.37 0.27 Allowed Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.444 -178.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' B' ' 19' ' ' SER . 4.7 tmtt? -75.54 11.48 1.28 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.98 -1.306 . . . . 0.0 107.897 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' B' ' 20' ' ' GLY . 34.5 tt0 60.93 -5.0 0.12 Allowed 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.664 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -76.43 -85.62 0.39 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 33.2 p-10 -100.94 104.98 16.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.35 -1.088 . . . . 0.0 108.515 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.95 -39.97 96.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.806 -1.183 . . . . 0.0 109.291 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' B' ' 27' ' ' LYS . 7.3 m-85 -52.2 171.26 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' B' ' 26' ' ' TYR . 19.1 tptp -52.3 -89.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.362 -1.461 . . . . 0.0 108.414 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 -178.35 0.23 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.687 -1.258 . . . . 0.0 110.445 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.4 p -47.85 144.67 3.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.048 -1.033 . . . . 0.0 109.252 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 10.8 mtmm -59.97 -50.47 73.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.129 -0.982 . . . . 0.0 110.061 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -54.75 -41.29 70.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 110.996 -177.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -72.35 -34.88 68.32 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.846 -1.159 . . . . 0.0 108.939 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 1.3 tm? -60.04 -44.62 94.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.043 -1.036 . . . . 0.0 110.635 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HZ3' ' CD1' ' B' ' 81' ' ' LEU . 4.0 tptp -69.88 -40.11 75.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.022 -1.674 . . . . 0.0 110.974 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.579 -1.326 . . . . 0.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.33 -56.45 8.52 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.766 -0.583 . . . . 0.0 111.944 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.52 -40.06 64.3 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.481 -1.387 . . . . 0.0 112.078 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -53.38 -30.59 40.58 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.028 -1.045 . . . . 0.0 108.196 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.0 m -74.77 -41.28 60.34 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -73.34 -30.78 63.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.0 108.759 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.3 mt -95.7 27.67 3.37 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.739 0.78 . . . . 0.0 109.005 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -59.87 -40.0 87.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.325 -0.86 . . . . 0.0 110.77 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 44.7 m -59.45 -28.33 66.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.025 -1.047 . . . . 0.0 109.242 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.55 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 29.9 m-85 -63.35 -16.97 62.05 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 118.039 -1.464 . . . . 0.0 107.341 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.85 -4.07 41.76 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' B' ' 43' ' ' SER . 92.2 m-20 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.546 -0.721 . . . . 0.0 109.874 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -146.81 75.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.085 -1.009 . . . . 0.0 110.081 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.76 117.27 9.45 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.9 mtpt -97.26 -66.28 0.91 Allowed 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.854 -0.529 . . . . 0.0 110.684 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -94.58 95.66 8.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.827 -1.171 . . . . 0.0 109.566 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.01 -15.97 62.05 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.13 -39.95 78.58 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.515 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -67.11 -52.33 43.13 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.239 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.34 -35.63 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 52.8 t0 -60.76 -40.05 91.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.974 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.51 -38.41 87.15 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.039 -1.038 . . . . 0.0 109.116 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.11 -39.98 79.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.27 -31.06 69.87 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.123 -0.986 . . . . 0.0 109.405 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.3 -39.99 92.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.211 -0.931 . . . . 0.0 110.959 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.93 -40.56 75.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.67 -1.269 . . . . 0.0 110.783 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -70.02 -30.13 67.35 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.115 -0.99 . . . . 0.0 111.285 -179.228 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -93.04 -28.89 16.1 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.102 -0.999 . . . . 0.0 111.565 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.27 -33.94 73.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.472 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 41.8 t30 -159.7 67.67 0.39 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.06 -23.54 52.3 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 41.8 t0 -80.19 -3.18 47.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -1.08 . . . . 0.0 109.468 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.408 ' HA3' ' HZ1' ' B' ' 30' ' ' LYS . . . -68.77 -147.07 0.18 Allowed Glycine 0 N--CA 1.483 1.824 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.01 158.27 34.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -1.105 . . . . 0.0 110.8 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 m -129.41 148.15 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.439 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 5.4 m-20 -121.81 -171.59 2.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.318 -0.864 . . . . 0.0 109.485 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 37.9 p90 -49.64 -53.84 21.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.643 -0.661 . . . . 0.0 112.144 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.2 -27.8 64.78 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 120.807 -1.183 . . . . 0.0 110.003 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.439 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 43.9 tt0 -81.66 -36.06 29.21 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.392 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -35.46 74.62 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -73.71 -42.8 54.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 121.613 -0.679 . . . . 0.0 111.256 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.93 -40.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 O-C-N 121.364 -0.835 . . . . 0.0 110.753 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.94 -39.13 76.27 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.605 -0.684 . . . . 0.0 110.34 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.42 -39.87 79.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.26 -0.9 . . . . 0.0 109.003 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.94 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.1 88.02 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.451 ' CD1' ' HZ3' ' B' ' 34' ' ' LYS . 7.0 tt -61.68 -40.01 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.879 -1.138 . . . . 0.0 109.356 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.492 ' H ' ' HG1' ' B' ' 82' ' ' THR . 1.6 m -60.1 -39.39 85.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 109.761 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.515 ' CG1' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -55.06 -33.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 0.0 108.336 -179.835 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.57 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.64 -22.0 63.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.622 -0.674 . . . . 0.0 109.577 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.666 ' C ' ' H ' ' B' ' 87' ' ' ASN . 13.8 t -144.65 62.43 1.32 Allowed 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -68.14 37.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.658 -1.276 . . . . 0.0 108.016 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.666 ' H ' ' C ' ' B' ' 85' ' ' CYS . 29.5 p30 -40.98 112.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.415 0.626 . . . . 0.0 111.328 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -93.74 -67.92 0.83 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.65 -41.03 96.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.597 -0.689 . . . . 0.0 109.35 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -85.71 52.46 2.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.416 -0.803 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 147.34 51.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.195 -0.941 . . . . 0.0 109.327 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -69.42 155.76 39.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.418 -0.801 . . . . 0.0 109.412 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.303 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.831 2.692 . . . . 0.0 119.831 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.881 ' HB2' ' OE2' ' B' ' 40' ' ' GLU . 4.6 t -90.64 163.3 14.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.149 -1.206 . . . . 0.0 110.157 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.81 -39.95 90.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.447 -0.783 . . . . 0.0 109.66 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -72.45 -54.25 9.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.453 -0.779 . . . . 0.0 110.206 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.875 ' OE1' HD21 ' B' ' 41' ' ' LEU . 24.4 tp10 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.028 -1.045 . . . . 0.0 109.947 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.055 -1.028 . . . . 0.0 109.958 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 0.0 110.651 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 tpt -60.1 -42.08 93.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.914 -1.116 . . . . 0.0 110.143 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.047 -1.033 . . . . 0.0 108.482 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.99 -39.52 86.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.643 -0.661 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.94 -39.89 87.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.796 -1.19 . . . . 0.0 109.856 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.09 -44.46 98.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 120.905 -1.122 . . . . 0.0 109.968 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.28 -0.888 . . . . 0.0 111.76 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t -71.76 -37.95 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.536 -1.353 . . . . 0.0 111.146 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.16 -39.43 63.57 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 20' ' ' GLY . 55.4 m-70 -60.05 -36.54 77.53 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.83 -56.65 9.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.794 -1.192 . . . . 0.0 109.132 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.91 -49.9 11.24 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.892 -1.13 . . . . 0.0 110.192 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' GLU . 37.2 m -66.4 -40.04 89.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.219 -0.925 . . . . 0.0 111.156 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -48.12 -26.89 4.89 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -8.5 55.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -1.214 . . . . 0.0 108.414 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 19' ' ' SER . 87.1 tt0 -98.9 139.8 34.03 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.96 95.75 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -81.87 140.09 34.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.427 -1.043 . . . . 0.0 108.896 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.88 -14.37 59.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.847 . . . . 0.0 110.621 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.3 m-85 -63.4 158.03 21.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 26' ' ' TYR . 26.3 tptt -49.24 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.656 -1.277 . . . . 0.0 109.461 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 176.45 -176.96 0.13 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.555 -1.34 . . . . 0.0 110.405 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -49.14 147.86 2.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.718 -1.239 . . . . 0.0 109.654 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 3.8 mtmt -59.97 -50.62 73.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.465 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.71 -47.55 63.91 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.157 -1.589 . . . . 0.0 111.099 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -68.14 -39.99 82.53 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.826 -1.171 . . . . 0.0 109.354 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tp -48.12 -46.57 34.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.848 -1.157 . . . . 0.0 109.213 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -67.2 -39.72 86.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.788 -1.195 . . . . 0.0 110.884 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.787 -1.196 . . . . 0.0 110.294 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.51 -55.88 10.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.117 -0.99 . . . . 0.0 112.112 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.82 72.01 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.504 -1.372 . . . . 0.0 112.003 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.02 -28.7 67.96 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -76.51 -40.0 51.43 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.516 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.886 ' OE2' ' HB2' ' B' ' 2' ' ' SER . 4.0 tp10 -80.68 -16.16 54.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.087 -1.008 . . . . 0.0 109.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.906 HD23 ' OE1' ' B' ' 5' ' ' GLU . 15.9 mt -108.33 32.15 5.03 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.1 m -59.96 -39.98 87.46 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.154 -0.967 . . . . 0.0 110.637 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 73.5 m -60.02 -36.97 78.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' HE2' ' OE2' ' B' ' 5' ' ' GLU . 31.6 m-85 -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.701 -1.2 . . . . 0.0 108.421 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.9 mm? -67.64 -3.43 9.01 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 43' ' ' SER . 52.8 t0 -55.86 -39.49 71.55 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 108.778 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.4 87.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.207 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.51 115.37 6.32 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.923 0.868 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 84' ' ' ALA . 21.2 mmmt -79.94 -70.0 0.55 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -100.01 102.82 14.29 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 122.127 0.965 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.93 -13.34 60.52 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.93 -39.98 75.8 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -70.61 -53.8 14.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.922 -1.111 . . . . 0.0 108.574 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 t -52.79 -35.69 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.73 -39.97 93.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.658 . . . . 0.0 109.416 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -41.36 99.14 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.067 0.937 . . . . 0.0 109.342 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.08 -42.7 90.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.752 . . . . 0.0 109.876 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 mmt -60.82 -23.67 65.26 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.113 -0.992 . . . . 0.0 109.199 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.52 -41.72 88.36 Favored 'General case' 0 C--O 1.198 -1.649 0 O-C-N 121.336 -0.852 . . . . 0.0 111.19 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 52.6 mp0 -69.51 -42.28 74.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.218 -1.551 . . . . 0.0 110.468 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -61.6 -39.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.564 -0.71 . . . . 0.0 110.241 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.35 -33.59 37.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.896 -1.128 . . . . 0.0 110.386 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.03 -40.07 88.06 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -152.05 61.41 0.85 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -51.46 -31.31 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.156 -1.577 . . . . 0.0 109.156 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.87 0.04 56.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -1.085 . . . . 0.0 108.948 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.45 -149.16 0.05 OUTLIER Glycine 0 N--CA 1.481 1.674 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.24 155.85 39.65 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -1.046 . . . . 0.0 109.997 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.36 156.84 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 36.9 p-10 -127.12 -159.11 0.91 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.459 -0.776 . . . . 0.0 109.69 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 28.5 p90 -59.93 -47.6 85.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.638 -0.664 . . . . 0.0 112.053 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.698 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 1.7 tm0? -70.05 -28.3 65.34 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.418 -1.426 . . . . 0.0 109.583 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 60.9 mm-40 -77.96 -40.93 37.83 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.558 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.6 t80 -68.33 -38.45 81.53 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.355 -0.84 . . . . 0.0 108.759 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.27 -41.76 74.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.01 -39.99 78.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.166 -0.959 . . . . 0.0 110.767 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.32 -32.76 66.83 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.112 -0.992 . . . . 0.0 109.801 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 53.7 t -69.68 -40.83 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -0.887 . . . . 0.0 109.546 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.82 92.56 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.01 87.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.3 -39.98 94.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.777 -1.202 . . . . 0.0 109.125 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.565 ' HG1' ' CE ' ' B' ' 8' ' ' MET . 45.1 m -59.97 -38.81 83.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.597 -0.689 . . . . 0.0 109.912 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' CB ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -58.56 -38.11 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 109.211 -178.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.63 -22.18 60.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 110.44 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.581 ' C ' ' H ' ' A' ' 87' ' ' ASN . 91.9 m -125.11 21.21 8.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.922 . . . . 0.0 108.606 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 82' ' ' THR . 21.2 p-10 -58.01 2.23 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.392 -0.817 . . . . 0.0 109.975 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.581 ' H ' ' C ' ' A' ' 85' ' ' CYS . 40.0 t30 -49.9 106.24 0.11 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.084 -1.01 . . . . 0.0 108.761 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.96 -41.78 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.896 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 91' ' ' GLU . 86.6 m-85 -63.78 -40.02 95.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.947 -1.096 . . . . 0.0 109.592 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.484 ' CE3' ' O ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER 23.95 43.12 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 121.23 0.538 . . . . 0.0 112.104 -179.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' PHE . 15.4 pt-20 -76.97 133.74 39.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 0.0 109.692 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -104.97 119.96 40.29 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 109.243 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.421 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.782 2.673 . . . . 0.0 119.782 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.886 ' HB2' ' OE2' ' A' ' 40' ' ' GLU . 4.8 t -90.48 163.43 14.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.196 -1.179 . . . . 0.0 110.223 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.462 ' N ' ' HG ' ' B' ' 2' ' ' SER . 45.7 mt-10 -60.97 -39.91 91.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.368 -0.833 . . . . 0.0 109.734 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 3.9 tp -72.68 -53.98 10.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.46 -0.775 . . . . 0.0 110.204 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.906 ' OE1' HD23 ' A' ' 41' ' ' LEU . 24.4 tp10 -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 109.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -40.01 87.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.118 -0.989 . . . . 0.0 110.044 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.1 92.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.03 -1.044 . . . . 0.0 110.715 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.565 ' CE ' ' HG1' ' A' ' 82' ' ' THR . 4.6 tpt -60.51 -41.88 95.29 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.183 -0.948 . . . . 0.0 108.558 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.05 -39.29 85.47 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.739 -0.601 . . . . 0.0 110.322 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 109.855 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.91 -44.52 98.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.006 -1.059 . . . . 0.0 109.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.35 -41.12 92.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.791 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.75 -37.87 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.586 -1.321 . . . . 0.0 111.234 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.15 -39.51 63.59 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 20' ' ' GLY . 55.6 m-70 -59.94 -36.59 77.39 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.58 9.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.703 -1.248 . . . . 0.0 109.183 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -79.93 -50.03 11.04 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.823 -1.173 . . . . 0.0 110.16 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.501 ' O ' ' N ' ' B' ' 22' ' ' GLU . 30.3 m -66.43 -39.98 89.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.227 -0.921 . . . . 0.0 111.16 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -48.1 -26.78 4.78 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -8.41 55.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.245 . . . . 0.0 108.447 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' B' ' 19' ' ' SER . 86.4 tt0 -98.8 139.82 33.91 Favored 'General case' 0 C--N 1.289 -2.051 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.848 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.7 -40.0 95.96 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -81.89 140.28 34.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -1.116 . . . . 0.0 108.851 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -77.14 -14.02 59.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.672 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' B' ' 27' ' ' LYS . 93.1 m-85 -63.57 158.23 21.71 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 26' ' ' TYR . 27.0 tptt -49.37 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.632 -1.292 . . . . 0.0 109.472 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 176.63 -176.88 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.598 -1.313 . . . . 0.0 110.416 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -49.34 147.89 2.95 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.759 -1.213 . . . . 0.0 109.678 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 4.0 mtmt -60.03 -50.38 73.96 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.071 -1.018 . . . . 0.0 111.525 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -51.84 -47.52 64.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.048 -1.658 . . . . 0.0 111.114 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -68.19 -40.01 82.31 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 109.327 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tp -48.0 -46.76 33.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.849 -1.157 . . . . 0.0 109.263 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -67.16 -39.76 86.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 110.832 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -38.42 82.43 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.809 -1.182 . . . . 0.0 110.256 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.79 -55.74 10.27 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 111.947 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -40.79 71.93 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.337 -1.477 . . . . 0.0 112.008 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.93 -28.86 67.98 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 m -76.28 -40.08 52.59 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.524 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.881 ' OE2' ' HB2' ' A' ' 2' ' ' SER . 4.0 tp10 -80.59 -16.32 54.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.093 -1.004 . . . . 0.0 109.559 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.875 HD21 ' OE1' ' A' ' 5' ' ' GLU . 15.5 mt -108.2 32.11 5.04 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.1 m -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.8 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 75.3 m -59.94 -36.91 78.08 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.577 ' HE2' ' OE2' ' A' ' 5' ' ' GLU . 31.7 m-85 -59.96 -40.01 87.58 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.43 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.7 mm? -67.85 -3.38 9.46 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' B' ' 43' ' ' SER . 52.9 t0 -55.82 -39.65 71.68 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.221 -0.924 . . . . 0.0 108.788 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.09 87.55 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.234 -0.916 . . . . 0.0 109.176 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.84 115.36 6.53 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.001 0.905 . . . . 0.0 109.368 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.1 mmmt -80.01 -70.04 0.55 Allowed 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -99.96 102.98 14.51 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 122.088 0.947 . . . . 0.0 109.436 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.1 -13.28 60.46 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.45 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -70.94 -53.5 14.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.882 -1.136 . . . . 0.0 108.452 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 t -52.89 -35.5 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.83 -40.0 93.76 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.695 -0.628 . . . . 0.0 109.478 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -41.26 99.19 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.163 -0.96 . . . . 0.0 109.359 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.1 mt -59.94 -43.03 91.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.0 mmt -60.51 -23.8 64.82 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.126 -0.984 . . . . 0.0 109.284 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -66.61 -41.56 88.23 Favored 'General case' 0 C--O 1.2 -1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 111.129 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 60' ' ' GLU . 52.2 mp0 -69.51 -42.38 74.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.173 -1.579 . . . . 0.0 110.476 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -61.44 -39.79 92.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.536 -0.728 . . . . 0.0 110.291 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.38 -33.56 37.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.8 -1.187 . . . . 0.0 110.408 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.06 -39.96 87.82 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -152.09 61.33 0.84 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -51.45 -31.17 28.06 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -87.89 -0.02 56.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -1.079 . . . . 0.0 108.996 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.51 -149.03 0.05 OUTLIER Glycine 0 N--CA 1.48 1.631 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -151.49 155.91 39.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -1.054 . . . . 0.0 109.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.3 156.93 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.511 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 37.0 p-10 -127.02 -159.05 0.91 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.462 -0.774 . . . . 0.0 109.685 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.693 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 28.5 p90 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.685 -0.634 . . . . 0.0 111.928 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.693 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 1.7 tm0? -69.91 -28.25 65.45 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.44 -1.412 . . . . 0.0 109.654 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.511 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 60.7 mm-40 -77.96 -40.78 38.28 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.608 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 1.8 t80 -68.42 -38.33 81.11 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.24 -42.02 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.389 -0.82 . . . . 0.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.0 77.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 O-C-N 121.203 -0.936 . . . . 0.0 110.68 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.26 -32.79 66.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.088 -1.008 . . . . 0.0 109.781 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 53.3 t -69.84 -40.3 78.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.565 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.59 91.59 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.02 87.57 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.19 -40.1 94.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 86' ' ' ASN . 48.0 m -60.0 -38.96 84.17 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.678 -0.639 . . . . 0.0 109.839 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.45 ' CG1' ' CB ' ' B' ' 53' ' ' ALA . 0.3 OUTLIER -58.38 -38.05 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.147 -0.97 . . . . 0.0 109.284 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.79 -22.24 60.86 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 110.467 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.587 ' C ' ' H ' ' B' ' 87' ' ' ASN . 89.8 m -124.98 21.28 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 108.528 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' B' ' 82' ' ' THR . 21.6 p-10 -58.1 2.17 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.442 -0.786 . . . . 0.0 110.017 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.587 ' H ' ' C ' ' B' ' 85' ' ' CYS . 39.5 t30 -49.94 106.26 0.11 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.102 -0.999 . . . . 0.0 108.838 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.99 -41.74 92.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 110.867 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' B' ' 91' ' ' GLU . 86.2 m-85 -63.87 -39.98 95.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 109.663 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.479 ' CE3' ' O ' ' B' ' 87' ' ' ASN . 0.7 OUTLIER 24.14 42.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 CA-C-O 121.049 0.452 . . . . 0.0 112.061 -179.41 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' B' ' 89' ' ' PHE . 13.7 pt-20 -76.06 134.72 39.99 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.165 -0.96 . . . . 0.0 109.641 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -105.6 119.97 40.48 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.402 -0.811 . . . . 0.0 109.265 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.451 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.945 0 N-CA-C 119.883 2.713 . . . . 0.0 119.883 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -100.76 156.3 17.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -1.12 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.653 ' HG ' ' CG1' ' B' ' 14' ' ' VAL . 59.3 mt -66.9 -39.91 87.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.382 -0.824 . . . . 0.0 109.795 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 0.0 109.908 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.16 -39.99 88.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.16 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.691 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.24 -40.82 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.039 -1.038 . . . . 0.0 110.431 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.114 -0.991 . . . . 0.0 109.427 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -67.2 -40.0 86.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.436 -0.79 . . . . 0.0 110.558 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 99.7 mt -60.18 -40.09 88.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.93 -42.68 97.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.856 -1.152 . . . . 0.0 109.982 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.51 -42.35 98.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.19 -0.943 . . . . 0.0 111.822 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.628 ' CG1' ' HG ' ' B' ' 4' ' ' LEU . 25.1 t -70.79 -35.76 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.756 -1.215 . . . . 0.0 111.265 -178.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 6.7 m-30 -59.25 -37.41 77.52 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.8 t60 -60.01 -39.92 87.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.832 -0.542 . . . . 0.0 109.799 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.48 10.2 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.899 -1.125 . . . . 0.0 109.865 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -74.74 -40.03 61.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.703 -1.248 . . . . 0.0 110.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' GLU . 13.0 m -69.33 -39.66 78.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.16 -0.962 . . . . 0.0 110.196 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -50.66 -37.35 33.87 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -74.76 -9.68 58.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -1.13 . . . . 0.0 109.133 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' SER . 51.2 tp10 -88.41 141.4 28.57 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.96 91.09 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.11 144.7 25.17 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.219 -1.165 . . . . 0.0 109.228 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.71 -30.24 69.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.943 . . . . 0.0 109.697 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.94 169.55 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.92 -1.112 . . . . 0.0 108.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' NZ ' ' CD2' ' A' ' 36' ' ' LEU . 13.1 tptt -52.99 -85.36 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.731 -1.23 . . . . 0.0 108.453 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.26 -175.14 0.14 Allowed 'General case' 0 N--CA 1.512 2.635 0 O-C-N 121.095 -1.003 . . . . 0.0 110.751 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -56.71 148.54 19.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.982 -1.073 . . . . 0.0 110.903 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.696 ' HZ2' HD21 ' A' ' 64' ' ' ASN . 1.5 mmmm -60.0 -41.66 92.56 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.869 -0.519 . . . . 0.0 111.687 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -60.93 -54.45 44.92 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 119.611 -1.931 . . . . 0.0 110.268 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' LEU . 51.2 tp10 -64.34 -40.0 95.0 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.281 -0.967 . . . . 0.0 108.718 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' GLU . 53.9 tp -44.98 -44.62 10.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.967 -1.083 . . . . 0.0 108.253 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HZ2' HD21 ' A' ' 81' ' ' LEU . 15.6 tptt -60.01 -39.7 86.73 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 120.057 -0.657 . . . . 0.0 109.852 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.03 -34.68 73.71 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.744 -1.223 . . . . 0.0 108.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CD2' ' NZ ' ' A' ' 27' ' ' LYS . 9.9 mp -69.99 -56.39 7.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 110.845 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.94 -49.21 78.57 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.872 -1.142 . . . . 0.0 110.682 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.0 -21.33 44.31 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-O 121.443 0.64 . . . . 0.0 109.374 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.99 -32.68 15.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -81.97 -6.17 58.91 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.839 -1.163 . . . . 0.0 109.907 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 27.4 mt -115.15 48.63 1.14 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.988 -1.07 . . . . 0.0 108.3 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 22.6 t -53.36 -40.09 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.056 -1.027 . . . . 0.0 109.927 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.523 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 78.7 p -60.04 -13.06 9.72 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.687 -1.258 . . . . 0.0 108.066 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 80.3 t80 -47.13 -54.01 11.54 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 120.863 -1.148 . . . . 0.0 110.189 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -65.27 -6.05 8.71 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.888 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' N ' ' A' ' 47' ' ' VAL . 4.5 p-10 -60.76 -41.12 94.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.603 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 17.2 m -161.63 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.79 118.26 9.39 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.204 -1.56 . . . . 0.0 108.209 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 84' ' ' ALA . 3.7 mtmp? -89.14 -72.62 0.54 Allowed 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.744 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.04 91.14 7.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.074 -1.016 . . . . 0.0 109.644 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -16.93 63.35 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.94 -40.06 75.71 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.48 54.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 t -57.13 -36.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.1 -39.97 88.03 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.536 -0.727 . . . . 0.0 109.875 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.22 -39.99 89.97 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.918 0.866 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.03 -43.24 95.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.84 -0.537 . . . . 0.0 111.279 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 ttm -66.84 -26.1 66.75 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.093 -1.005 . . . . 0.0 109.056 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -63.28 -40.0 96.17 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.409 -0.807 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.42 -39.92 74.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.711 -1.243 . . . . 0.0 110.539 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 11.8 mt -69.13 -23.97 64.04 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.54 -0.725 . . . . 0.0 109.413 -178.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.74 -36.21 16.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.896 -1.128 . . . . 0.0 109.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.515 0.674 . . . . 0.0 109.475 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.696 HD21 ' HZ2' ' A' ' 30' ' ' LYS . 56.3 t30 -127.83 29.1 5.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.7 -28.71 16.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -86.98 0.14 55.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -1.057 . . . . 0.0 109.795 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.8 -158.27 8.64 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.36 165.23 28.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.63 -0.923 . . . . 0.0 109.819 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.15 155.86 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.527 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 10.9 p-10 -129.1 -158.05 0.86 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.8 p90 -59.99 -44.03 94.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.439 -0.788 . . . . 0.0 111.865 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.739 ' NE2' ' HB ' ' B' ' 83' ' ' VAL . 37.1 tt0 -70.61 -29.01 65.28 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.178 -1.576 . . . . 0.0 109.245 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 75.8 mm-40 -81.7 -40.06 23.34 Favored 'General case' 0 C--N 1.284 -2.239 0 C-N-CA 119.664 -0.815 . . . . 0.0 109.665 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 8.1 t80 -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.819 0.819 . . . . 0.0 108.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.38 -42.53 50.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.239 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' A' ' 72' ' ' GLN . 85.9 t -70.86 -40.03 76.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.261 -0.9 . . . . 0.0 110.611 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.38 -34.91 65.81 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.428 -0.795 . . . . 0.0 110.113 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 77.9 t -70.06 -39.98 77.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 109.074 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.69 -38.36 90.83 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.446 ' HA ' HE21 ' B' ' 72' ' ' GLN . . . -60.09 -39.99 88.05 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD21 ' HZ2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -60.41 -43.09 97.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.048 -1.032 . . . . 0.0 108.812 179.523 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -60.02 -34.25 73.11 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.84 -1.163 . . . . 0.0 110.047 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.737 ' HB ' ' NE2' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -53.52 -38.18 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.862 -1.149 . . . . 0.0 108.208 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.99 -22.67 63.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.629 ' C ' ' H ' ' A' ' 87' ' ' ASN . 52.5 t -137.92 58.37 1.69 Allowed 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.557 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 63.2 t30 -67.62 44.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.629 ' H ' ' C ' ' A' ' 85' ' ' CYS . 48.2 p-10 -53.37 140.03 28.52 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.26 0.552 . . . . 0.0 109.926 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -128.1 -61.1 1.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.663 -0.648 . . . . 0.0 109.279 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 64.4 t80 -90.04 -10.93 43.02 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.275 -0.891 . . . . 0.0 109.703 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -90.29 45.07 1.24 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.149 -0.969 . . . . 0.0 110.085 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.1 141.31 54.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -69.48 152.59 44.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 0.0 109.71 -179.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.346 -179.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.854 0 N-CA-C 119.735 2.654 . . . . 0.0 119.735 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -100.82 156.06 17.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.172 -1.193 . . . . 0.0 109.565 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 14' ' ' VAL . 48.5 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.286 -0.884 . . . . 0.0 109.513 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.628 ' HG ' ' CG1' ' A' ' 14' ' ' VAL . 63.2 mt -66.95 -39.92 87.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.408 -0.807 . . . . 0.0 109.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.0 -40.08 88.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.199 -0.938 . . . . 0.0 110.051 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 110.24 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.17 92.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.272 -0.892 . . . . 0.0 110.707 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.31 -40.72 95.26 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.114 -0.991 . . . . 0.0 110.292 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -39.99 87.87 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.099 -1.0 . . . . 0.0 109.454 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -67.48 -39.95 85.24 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.368 -0.832 . . . . 0.0 110.405 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 98.6 mt -60.08 -40.07 88.28 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.848 -1.157 . . . . 0.0 110.835 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -62.86 -42.59 97.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.87 -1.144 . . . . 0.0 109.982 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.61 -42.31 98.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.235 -0.915 . . . . 0.0 111.861 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.653 ' CG1' ' HG ' ' A' ' 4' ' ' LEU . 29.0 t -70.84 -35.78 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.693 -1.254 . . . . 0.0 111.2 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.447 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 6.7 m-30 -59.29 -37.4 77.6 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 20' ' ' GLY . 85.8 t60 -60.02 -40.02 87.87 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.195 0.521 . . . . 0.0 109.718 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.28 10.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.9 -1.125 . . . . 0.0 109.861 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.86 -40.02 61.23 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.709 -1.244 . . . . 0.0 110.154 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' B' ' 22' ' ' GLU . 12.0 m -69.68 -39.13 77.17 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.03 . . . . 0.0 110.238 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -50.98 -37.32 36.04 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -74.65 -9.79 58.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.17 -1.194 . . . . 0.0 109.118 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' B' ' 19' ' ' SER . 51.6 tp10 -88.6 141.46 28.5 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.19 90.98 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -92.15 144.74 25.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.262 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.73 -30.12 69.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.698 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -49.91 169.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.928 -1.108 . . . . 0.0 108.459 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.516 ' HZ1' ' CD2' ' B' ' 36' ' ' LEU . 13.5 tptt -53.02 -85.45 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.786 -1.196 . . . . 0.0 108.41 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.35 -175.03 0.14 Allowed 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.94 -1.1 . . . . 0.0 110.769 178.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.5 p -56.58 148.48 19.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.015 -1.053 . . . . 0.0 110.974 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.67 ' HZ2' ' ND2' ' B' ' 64' ' ' ASN . 1.5 mmmm -60.09 -41.4 92.41 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.796 -0.565 . . . . 0.0 111.781 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -61.09 -54.13 48.5 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.579 -1.95 . . . . 0.0 110.29 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.9 tp10 -64.58 -40.01 94.77 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.669 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' B' ' 32' ' ' GLU . 54.3 tp -45.12 -44.42 10.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -60.06 -39.82 87.33 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.876 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.01 -34.53 73.46 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.724 -1.235 . . . . 0.0 108.771 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.516 ' CD2' ' HZ1' ' B' ' 27' ' ' LYS . 10.0 mp -70.04 -56.44 6.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.836 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.02 -49.25 78.42 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.936 -1.103 . . . . 0.0 110.654 -178.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -57.95 -21.56 44.7 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 121.439 0.638 . . . . 0.0 109.321 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.8 -32.47 15.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.347 -0.845 . . . . 0.0 110.635 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.15 -6.16 58.98 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.854 -1.154 . . . . 0.0 109.907 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 33.5 mt -115.09 48.32 1.18 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.897 -1.127 . . . . 0.0 108.245 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 26.4 t -53.16 -40.15 64.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.06 -1.025 . . . . 0.0 109.921 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.516 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 79.4 p -60.02 -13.02 9.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.624 -1.298 . . . . 0.0 108.035 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 80.2 t80 -47.1 -54.28 10.84 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.992 -1.068 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' B' ' 42' ' ' SER . 1.1 pt? -65.01 -5.89 7.32 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.994 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.604 ' OD1' ' N ' ' B' ' 47' ' ' VAL . 4.6 p-10 -61.12 -40.73 94.87 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.215 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.604 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 16.9 m -161.86 68.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.538 -0.726 . . . . 0.0 110.765 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.536 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -65.8 118.05 9.1 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.15 -1.594 . . . . 0.0 108.205 179.183 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ALA . 3.2 mtmp? -89.24 -71.97 0.58 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.803 -0.561 . . . . 0.0 109.823 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.04 90.95 7.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.005 -1.06 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.96 -40.04 75.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -53.43 54.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.95 -37.0 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.93 -40.04 87.53 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.912 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.27 -40.05 89.85 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.848 0.833 . . . . 0.0 109.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.94 -43.47 95.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.914 -0.491 . . . . 0.0 111.323 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.9 ttm -66.4 -26.63 67.33 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.215 -0.928 . . . . 0.0 109.025 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -63.05 -40.06 96.59 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.428 -0.795 . . . . 0.0 110.715 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.22 -40.01 74.77 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.759 -1.213 . . . . 0.0 110.509 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.483 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 12.9 mt -69.11 -24.02 64.07 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.638 0.733 . . . . 0.0 109.457 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.17 -36.02 15.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.763 -1.211 . . . . 0.0 109.416 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 63' ' ' GLU . 0.3 OUTLIER -82.74 -27.36 31.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.426 0.631 . . . . 0.0 109.411 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.67 ' ND2' ' HZ2' ' B' ' 30' ' ' LYS . 56.1 t30 -127.6 29.24 5.53 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.95 -28.56 17.52 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -86.96 0.33 55.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -1.074 . . . . 0.0 109.857 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -158.26 8.59 Favored Glycine 0 N--CA 1.479 1.556 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.63 164.9 29.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.671 -0.899 . . . . 0.0 109.792 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.91 156.0 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.401 -0.812 . . . . 0.0 109.431 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 10.8 p-10 -129.02 -158.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.02 -43.96 94.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.348 -0.845 . . . . 0.0 111.851 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.737 ' NE2' ' HB ' ' A' ' 83' ' ' VAL . 37.0 tt0 -70.82 -28.71 64.82 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.087 -1.633 . . . . 0.0 109.22 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 76.2 mm-40 -81.92 -40.01 22.93 Favored 'General case' 0 C--N 1.284 -2.262 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.6 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.484 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 8.2 t80 -69.99 -39.62 75.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -74.12 -42.83 51.84 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 O-C-N 121.062 -1.024 . . . . 0.0 111.208 -178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 86.1 t -70.68 -40.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 O-C-N 121.241 -0.912 . . . . 0.0 110.672 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.2 tp -73.26 -35.09 66.14 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.355 -0.841 . . . . 0.0 110.184 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 79.6 t -69.97 -40.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.033 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.63 91.88 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.466 ' HA ' HE21 ' A' ' 72' ' ' GLN . . . -59.99 -40.03 87.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -42.99 97.14 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.011 -1.056 . . . . 0.0 108.892 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -60.03 -34.49 73.44 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.822 -1.174 . . . . 0.0 110.036 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.739 ' HB ' ' NE2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -53.33 -38.0 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.794 -1.191 . . . . 0.0 108.14 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -70.06 -22.76 63.04 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.357 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.601 ' C ' ' H ' ' B' ' 87' ' ' ASN . 52.3 t -137.84 58.07 1.7 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.562 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 63.6 t30 -67.42 44.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.601 ' H ' ' C ' ' B' ' 85' ' ' CYS . 48.1 p-10 -53.36 139.96 28.71 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.321 0.581 . . . . 0.0 109.977 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -127.97 -61.1 1.12 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.476 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 64.2 t80 -89.95 -11.06 42.81 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -90.15 44.84 1.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.218 -0.926 . . . . 0.0 110.132 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.63 142.03 55.22 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.457 ' N ' ' ND2' ' B' ' 92' ' ' ASN . 0.1 OUTLIER -69.98 152.69 44.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.446 -0.784 . . . . 0.0 109.558 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.387 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.399 2.519 . . . . 0.0 119.399 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -77.55 153.56 33.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.227 -1.161 . . . . 0.0 109.468 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 43.4 mp0 -70.09 -41.77 73.63 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 110.778 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.55 -40.21 70.15 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.935 -1.103 . . . . 0.0 111.866 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.81 -39.93 93.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.491 -1.381 . . . . 0.0 109.943 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -61.55 -40.2 93.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.436 -0.79 . . . . 0.0 111.28 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.15 75.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.076 -1.015 . . . . 0.0 111.042 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.91 -43.55 98.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.849 -1.157 . . . . 0.0 109.853 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.15 -39.72 87.36 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.221 -0.924 . . . . 0.0 109.022 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.576 -0.702 . . . . 0.0 110.066 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -39.94 87.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.968 -1.082 . . . . 0.0 110.497 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.8 -44.54 98.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.823 -1.173 . . . . 0.0 110.142 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 50.8 t-20 -60.13 -41.5 92.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.002 -1.061 . . . . 0.0 111.183 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.63 -37.61 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.771 -1.205 . . . . 0.0 111.032 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.7 m-30 -55.85 -35.97 67.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 65.5 t60 -60.04 -38.2 82.05 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -57.52 9.26 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.614 -1.304 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -80.12 -48.44 13.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.924 -1.11 . . . . 0.0 110.313 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' PHE . 51.9 p -69.9 -35.85 74.94 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.271 -0.893 . . . . 0.0 111.17 -178.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -49.96 -26.52 8.67 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -73.05 -14.34 61.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.307 -1.113 . . . . 0.0 109.032 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' SER . 88.8 tt0 -87.75 141.85 28.28 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.21 -44.34 89.05 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -90.34 159.02 16.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.145 -1.209 . . . . 0.0 108.94 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -77.97 -9.34 59.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.163 -0.961 . . . . 0.0 109.958 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -53.4 155.12 3.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 47.7 tptt -52.06 -82.77 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.672 -1.267 . . . . 0.0 109.029 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' CG ' ' H ' ' A' ' 29' ' ' SER . 14.8 tp -174.01 -179.33 1.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.262 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' A' ' 28' ' ' LEU . 8.7 t -65.89 150.59 48.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.482 -1.386 . . . . 0.0 110.946 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 13.4 mmtp -54.27 -47.6 72.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.672 -0.643 . . . . 0.0 110.449 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' GLY . 44.7 tptt -60.02 -43.4 95.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.307 -1.495 . . . . 0.0 111.079 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -84.19 -24.66 30.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.598 -1.314 . . . . 0.0 108.561 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -51.37 -51.22 56.52 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -72.58 -33.71 66.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.913 -1.117 . . . . 0.0 111.519 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.88 -40.16 87.73 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.225 -1.547 . . . . 0.0 110.879 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.44 -55.5 6.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 112.981 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.03 -36.39 75.02 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.402 -1.436 . . . . 0.0 111.199 -176.703 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -59.13 -31.56 69.05 Favored 'General case' 0 C--N 1.285 -2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 108.434 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -74.96 -42.36 57.78 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.979 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -31.92 71.99 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.4 mt -98.34 33.75 2.14 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 109.526 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.6 m -59.97 -40.05 87.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 75.7 m -63.7 -30.89 71.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.234 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.8 m-85 -60.04 -38.03 81.56 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -63.02 -3.04 1.44 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.41 -0.806 . . . . 0.0 108.861 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 44' ' ' PHE . 88.5 m-20 -57.56 -40.16 78.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.053 -1.03 . . . . 0.0 108.67 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 91' ' ' GLU . 4.0 p -138.21 95.97 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.488 -0.757 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.76 106.13 2.55 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 108.292 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.0 mmmp? -80.07 -70.26 0.53 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.617 -0.677 . . . . 0.0 109.418 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -102.32 100.55 10.72 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.92 -18.38 60.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.203 -0.935 . . . . 0.0 109.469 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -70.09 -39.94 75.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.62 -0.675 . . . . 0.0 109.447 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.19 -54.79 20.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.894 -1.129 . . . . 0.0 108.377 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.548 ' O ' ' SD ' ' A' ' 58' ' ' MET . 1.2 t -55.54 -34.83 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.97 -40.0 87.55 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.435 -0.791 . . . . 0.0 109.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.72 -40.09 94.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.04 -1.037 . . . . 0.0 109.902 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.4 mp -59.98 -41.32 85.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 108.783 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -62.7 -26.21 68.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.398 -0.813 . . . . 0.0 109.085 179.042 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.02 -40.14 95.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.124 -0.985 . . . . 0.0 110.949 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.54 -40.07 61.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.355 -1.466 . . . . 0.0 110.405 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 9.4 mt -67.91 -26.28 65.91 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.704 -0.622 . . . . 0.0 110.902 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -93.2 -37.83 11.88 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.035 -1.041 . . . . 0.0 110.042 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -30.78 68.11 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.448 -0.782 . . . . 0.0 108.899 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -154.72 67.19 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -62.92 -22.54 64.71 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 51.5 t0 -88.7 5.77 41.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.08 -1.247 . . . . 0.0 109.638 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.14 -151.02 0.13 Allowed Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.47 154.28 36.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.477 -1.013 . . . . 0.0 109.944 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.05 156.44 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.578 -0.701 . . . . 0.0 109.742 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.5 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 44.4 p-10 -125.27 -158.71 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.2 p90 -60.0 -45.38 92.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 112.181 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.674 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.0 tt0 -69.78 -27.79 65.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.313 -1.492 . . . . 0.0 108.943 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 61.3 mm-40 -79.28 -41.89 27.06 Favored 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.194 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 1.7 t80 -69.59 -38.04 77.16 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.347 -0.845 . . . . 0.0 108.81 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.3 t -73.85 -42.37 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.57 -0.706 . . . . 0.0 110.9 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.19 -40.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.156 -0.965 . . . . 0.0 110.794 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.94 -33.91 66.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.0 t -71.93 -40.25 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.031 -1.043 . . . . 0.0 109.813 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.02 92.77 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.708 0.765 . . . . 0.0 109.141 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.75 -40.11 93.96 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.638 -1.289 . . . . 0.0 108.468 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -50.95 -34.98 31.07 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.17 -41.81 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.618 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -70.03 -20.65 63.25 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.839 -0.538 . . . . 0.0 110.138 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.554 ' C ' ' H ' ' A' ' 87' ' ' ASN . 35.1 m -141.27 59.33 1.52 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.538 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 29.0 m120 -52.93 -11.98 0.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.554 ' H ' ' C ' ' A' ' 85' ' ' CYS . 7.8 p30 43.47 36.5 1.16 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -109.44 -58.15 2.08 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.337 -0.852 . . . . 0.0 110.995 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 35.2 t80 -70.01 -30.21 67.47 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.941 -1.099 . . . . 0.0 111.105 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.506 ' CZ2' ' O ' ' A' ' 87' ' ' ASN . 47.1 m95 64.79 50.69 1.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.407 -0.808 . . . . 0.0 109.9 -178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 89' ' ' PHE . 76.0 mm-40 -59.12 -24.57 63.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -69.49 -13.11 62.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.349 -0.845 . . . . 0.0 109.286 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.445 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.864 0 N-CA-C 119.558 2.583 . . . . 0.0 119.558 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.3 m -77.45 153.15 33.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -1.18 . . . . 0.0 109.495 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' B' ' 3' ' ' GLU . 43.1 mp0 -69.95 -41.56 74.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.109 -0.994 . . . . 0.0 110.74 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.58 -40.59 69.81 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.888 -1.133 . . . . 0.0 111.773 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.38 -40.08 93.04 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.513 -1.367 . . . . 0.0 109.993 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.7 m -61.86 -40.05 93.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 111.225 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.39 76.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.134 -0.979 . . . . 0.0 111.068 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.5 tpt -61.9 -43.72 98.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.972 -1.08 . . . . 0.0 109.956 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -39.7 86.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -0.882 . . . . 0.0 108.956 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -60.02 -39.93 87.55 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.684 -0.635 . . . . 0.0 110.032 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.91 -40.0 87.35 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.007 -1.058 . . . . 0.0 110.471 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.92 -44.12 98.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 120.656 -1.277 . . . . 0.0 110.177 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 51.3 t-20 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.956 -1.09 . . . . 0.0 111.04 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.05 -38.24 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.756 -1.215 . . . . 0.0 111.083 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.6 -36.04 66.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' B' ' 20' ' ' GLY . 64.2 t60 -59.87 -38.4 82.07 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.81 -57.8 8.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.726 -1.234 . . . . 0.0 109.236 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -79.93 -48.49 13.33 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.835 -1.165 . . . . 0.0 110.224 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.556 ' HG ' ' N ' ' B' ' 20' ' ' GLY . 50.8 p -69.95 -36.04 74.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.332 -0.855 . . . . 0.0 111.217 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -50.04 -26.53 8.92 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.57 -14.52 61.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -1.102 . . . . 0.0 109.013 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 19' ' ' SER . 87.9 tt0 -87.58 141.9 28.26 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.15 -44.59 88.72 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -89.96 159.1 17.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.174 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -78.04 -9.29 59.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -53.43 155.15 3.03 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.757 -1.215 . . . . 0.0 107.933 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 48.3 tptt -52.25 -82.76 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.067 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -173.92 -179.46 1.73 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.161 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.4 t -65.58 150.6 48.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.453 -1.404 . . . . 0.0 110.991 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' B' ' 61' ' ' LEU . 13.3 mmtp -54.26 -47.59 72.11 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.725 -0.609 . . . . 0.0 110.408 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' B' ' 65' ' ' GLY . 45.1 tptt -59.97 -43.45 95.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.294 -1.504 . . . . 0.0 111.179 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -84.3 -24.45 29.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.584 -1.323 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.61 -51.06 58.62 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -72.8 -33.6 66.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 111.567 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.199 -1.563 . . . . 0.0 110.835 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.56 -55.37 6.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.082 -1.012 . . . . 0.0 112.978 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -69.91 -36.7 75.6 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.369 -1.457 . . . . 0.0 111.34 -176.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -58.87 -31.69 68.79 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.945 -1.097 . . . . 0.0 108.328 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.1 m -74.86 -42.17 58.41 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.057 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -32.23 72.3 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -97.87 33.81 2.03 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.521 -0.737 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.041 -1.037 . . . . 0.0 110.95 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.9 m -63.94 -30.83 71.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 109.322 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 m-85 -59.96 -38.21 81.83 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -62.96 -2.75 1.31 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.481 -0.762 . . . . 0.0 108.971 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' B' ' 44' ' ' PHE . 88.0 m-20 -58.05 -40.01 79.85 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.98 -1.075 . . . . 0.0 108.569 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.425 HG21 ' H ' ' B' ' 91' ' ' GLU . 4.6 p -138.39 96.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.422 -0.799 . . . . 0.0 110.272 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -68.99 106.29 2.71 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.933 -1.105 . . . . 0.0 108.156 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.1 mmmp? -79.98 -70.74 0.49 Allowed 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.86 100.63 10.97 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -0.912 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.15 60.84 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.481 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -69.99 -39.93 75.62 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.483 0.659 . . . . 0.0 109.53 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -54.56 22.67 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.883 -1.135 . . . . 0.0 108.387 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.539 ' O ' ' SD ' ' B' ' 58' ' ' MET . 1.2 t -55.72 -34.89 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -59.86 -40.04 87.25 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 121.51 -0.744 . . . . 0.0 109.371 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.63 -40.12 94.92 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.047 . . . . 0.0 109.888 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' B' ' 57' ' ' ILE . 1.4 mp -59.91 -41.29 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.89 . . . . 0.0 108.803 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -62.77 -26.12 68.55 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.035 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.0 -40.09 95.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.131 -0.98 . . . . 0.0 110.9 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.82 -40.0 61.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.357 -1.464 . . . . 0.0 110.438 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' B' ' 30' ' ' LYS . 9.4 mt -67.76 -26.64 66.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.655 -0.653 . . . . 0.0 110.886 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -92.92 -37.68 12.11 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.041 -1.037 . . . . 0.0 110.163 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -30.94 68.39 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 108.936 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -154.81 67.18 0.68 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.471 -0.768 . . . . 0.0 109.13 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -62.83 -22.55 64.53 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 49.7 t0 -88.56 5.24 43.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.636 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.55 -151.14 0.1 Allowed Glycine 0 N--CA 1.482 1.719 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.46 154.56 36.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.033 . . . . 0.0 109.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.4 156.69 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 109.714 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.502 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 44.8 p-10 -125.41 -158.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.366 -0.834 . . . . 0.0 112.053 -178.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.678 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 8.5 tt0 -69.55 -28.24 65.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.281 -1.512 . . . . 0.0 108.927 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.502 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 61.0 mm-40 -79.06 -41.52 28.59 Favored 'General case' 0 C--N 1.281 -2.384 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.239 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 1.7 t80 -69.88 -37.76 76.16 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.388 -0.82 . . . . 0.0 108.804 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.43 -41.85 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.462 -0.774 . . . . 0.0 110.975 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.7 t -70.75 -40.05 76.35 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 O-C-N 121.264 -0.898 . . . . 0.0 110.884 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -73.4 -33.98 65.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.056 -1.027 . . . . 0.0 110.104 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.8 -40.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.109 -0.995 . . . . 0.0 109.799 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.15 84.7 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.72 0.771 . . . . 0.0 109.111 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.74 -39.92 93.27 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.571 -1.331 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -51.34 -34.7 34.95 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.408 HG22 ' NE2' ' A' ' 72' ' ' GLN . 54.5 t -60.15 -42.37 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.332 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.548 ' C ' ' H ' ' B' ' 87' ' ' ASN . 34.8 m -141.26 59.24 1.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 28.8 m120 -52.92 -11.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.548 ' H ' ' C ' ' B' ' 85' ' ' CYS . 7.8 p30 43.32 36.81 1.14 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.457 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -109.67 -58.15 2.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.249 -0.907 . . . . 0.0 110.881 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' B' ' 91' ' ' GLU . 34.8 t80 -70.02 -30.36 67.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.912 -1.117 . . . . 0.0 111.152 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' B' ' 87' ' ' ASN . 47.6 m95 65.02 51.12 1.75 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.515 -0.741 . . . . 0.0 109.846 -178.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' B' ' 89' ' ' PHE . 75.1 mm-40 -59.99 -24.42 64.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -69.25 -13.65 62.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.53 -179.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.853 0 N-CA-C 119.25 2.46 . . . . 0.0 119.25 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.54 ' OG ' ' OE2' ' B' ' 40' ' ' GLU . 43.1 p -80.67 167.01 20.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.273 -1.133 . . . . 0.0 109.329 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.31 -40.11 89.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 110.212 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 3.7 mp -70.23 -42.07 72.72 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -61.74 -40.2 94.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.056 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -40.04 88.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.316 -0.865 . . . . 0.0 109.246 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.11 85.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.577 -0.702 . . . . 0.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.95 -1.094 . . . . 0.0 110.271 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.06 -40.31 89.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.978 -1.076 . . . . 0.0 110.373 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -62.15 -40.05 94.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 110.663 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 93.7 mt -59.98 -39.73 86.69 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.044 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.18 -43.92 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.914 -1.117 . . . . 0.0 110.219 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.06 -40.07 88.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.996 -1.065 . . . . 0.0 110.939 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 t -69.24 -31.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 120.273 -1.517 . . . . 0.0 110.413 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.8 m-30 -54.61 -37.74 65.94 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 30.9 m-70 -59.46 -33.39 71.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.06 -56.44 16.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.881 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.06 -0.21 42.34 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 120.846 -1.159 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.3 m -135.62 -2.92 2.38 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.801 -1.187 . . . . 0.0 110.658 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -70.07 -40.52 72.45 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.325 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -75.63 -9.11 58.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.149 -1.206 . . . . 0.0 109.464 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -77.4 143.86 38.34 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.81 -39.41 95.35 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.34 137.16 33.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.207 -1.172 . . . . 0.0 109.975 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -70.01 -24.76 63.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.62 161.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.992 -1.067 . . . . 0.0 109.137 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 18.9 tptp -50.78 -85.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.985 -1.072 . . . . 0.0 108.584 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.0 -175.32 0.06 Allowed 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.179 -0.95 . . . . 0.0 110.393 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 p -46.66 146.28 1.6 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.225 -1.547 . . . . 0.0 110.157 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -60.04 -50.09 75.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.383 -0.823 . . . . 0.0 111.598 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.637 -1.29 . . . . 0.0 110.605 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -71.72 -32.5 67.83 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.811 -1.156 . . . . 0.0 109.437 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.04 -44.3 94.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.599 -1.313 . . . . 0.0 108.756 178.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HZ2' ' HA ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -69.86 -40.46 75.75 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.866 -177.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.59 -40.14 94.98 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.118 -1.614 . . . . 0.0 109.849 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.53 -52.23 65.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.42 -0.8 . . . . 0.0 110.592 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.04 -39.76 68.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.998 -1.064 . . . . 0.0 111.919 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -22.5 66.92 Favored 'General case' 0 C--N 1.288 -2.104 0 O-C-N 120.63 -1.294 . . . . 0.0 108.31 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -72.33 -39.96 67.79 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.952 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 11.6 pt-20 -90.99 -7.22 52.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.297 -0.877 . . . . 0.0 110.198 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -104.77 42.22 1.24 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m -59.96 -40.04 87.7 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.285 -0.885 . . . . 0.0 110.137 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.3 p -58.43 -24.21 59.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.404 -0.81 . . . . 0.0 110.147 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -60.01 -23.65 63.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.593 -1.317 . . . . 0.0 107.483 179.528 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -78.07 -9.13 59.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.88 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 109.962 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.07 82.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.983 -1.073 . . . . 0.0 110.717 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.71 17.88 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.925 -1.109 . . . . 0.0 108.418 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -103.94 -50.46 3.38 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.661 -0.649 . . . . 0.0 110.234 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -102.34 102.39 12.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.177 -0.952 . . . . 0.0 110.81 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -18.79 57.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.552 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -71.58 -40.06 70.16 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.719 -0.613 . . . . 0.0 109.432 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.36 66.78 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.301 -0.874 . . . . 0.0 109.156 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 58' ' ' MET . 61.1 t -59.66 -39.95 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.0 -40.06 92.09 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 37.2 ttpt -65.95 -41.64 91.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.158 -0.964 . . . . 0.0 109.807 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG22 HD12 ' A' ' 57' ' ' ILE . 90.7 mt -60.48 -41.67 88.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.528 -0.732 . . . . 0.0 110.111 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.8 -28.51 68.82 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.61 -39.81 92.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.313 -0.867 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 44.4 mp0 -69.98 -36.36 75.14 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.698 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 10.1 mt -75.71 -24.42 56.21 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.9 -1.125 . . . . 0.0 110.239 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -92.84 -29.35 16.0 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.856 -1.153 . . . . 0.0 110.846 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 22.0 pt-20 -69.71 -34.31 73.71 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.171 -0.956 . . . . 0.0 108.547 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 63' ' ' GLU . 31.1 m120 -151.13 54.36 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.06 -29.46 14.82 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -87.05 0.39 55.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.58 -0.953 . . . . 0.0 109.338 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.44 -153.5 3.27 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -142.53 159.56 42.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.467 -1.019 . . . . 0.0 110.624 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.94 159.88 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 32.1 t0 -127.27 -160.28 0.99 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -62.25 -45.18 94.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 0.0 111.23 -178.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 61.8 tt0 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.737 -1.227 . . . . 0.0 109.903 -178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.491 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.5 mt-10 -80.62 -39.93 26.57 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.71 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -38.67 75.22 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.035 -1.041 . . . . 0.0 108.759 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.4 t -73.84 -40.18 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.382 -0.823 . . . . 0.0 110.778 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.78 -41.51 77.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.483 -0.761 . . . . 0.0 111.122 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.59 -35.75 70.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.93 -40.1 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.116 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.26 84.93 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -64.18 -34.02 77.13 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.8 tp -68.24 -40.06 82.11 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 109.805 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 85' ' ' CYS . 4.1 m -63.99 -36.83 85.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.602 -1.311 . . . . 0.0 109.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 80' ' ' ALA . 1.7 p -50.98 -30.39 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -59.98 -37.59 80.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' THR . 30.2 t -140.18 58.33 1.59 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' ASN . 64.8 t30 -48.38 -18.99 0.27 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' ASN . 43.0 t30 47.13 172.86 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.339 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' CG ' ' A' ' 87' ' ' ASN . 70.2 t80 -179.78 -65.36 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -90.97 -21.84 21.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.978 . . . . 0.0 109.427 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -88.68 57.12 4.03 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.316 -0.865 . . . . 0.0 109.432 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.402 ' HA ' HD22 ' A' ' 87' ' ' ASN . 14.9 pt-20 -67.08 139.61 57.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -70.21 156.72 38.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.711 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.503 -179.832 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.55 ' OG ' ' OE2' ' A' ' 40' ' ' GLU . 51.1 p -80.4 167.32 20.35 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -1.113 . . . . 0.0 109.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.38 -40.13 89.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.297 -0.877 . . . . 0.0 110.229 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.93 -42.27 73.5 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.845 -1.159 . . . . 0.0 109.702 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.498 ' H ' ' HG ' ' B' ' 2' ' ' SER . 89.3 tt0 -61.67 -40.25 94.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.137 -0.977 . . . . 0.0 110.121 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 87.4 m -60.16 -39.91 88.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.276 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.14 85.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.608 -0.682 . . . . 0.0 110.536 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -49.01 79.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.994 -1.067 . . . . 0.0 110.293 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.11 -40.46 89.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.903 -1.123 . . . . 0.0 110.471 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -62.39 -39.84 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.752 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.1 mt -59.99 -39.89 87.29 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.138 -0.976 . . . . 0.0 109.922 -179.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.402 HD11 HG22 ' B' ' 12' ' ' ILE . 97.2 mt -60.03 -43.79 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.835 -1.166 . . . . 0.0 110.313 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.909 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 5.9 t -69.64 -31.83 50.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.9 m-30 -54.5 -37.96 65.92 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.551 ' O ' ' N ' ' B' ' 20' ' ' GLY . 30.3 m-70 -59.21 -33.56 71.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.97 -56.42 16.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.295 -0.878 . . . . 0.0 109.891 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.01 -0.32 42.27 Favored 'General case' 0 N--CA 1.511 2.577 0 O-C-N 120.81 -1.181 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.421 ' N ' ' O ' ' B' ' 15' ' ' PHE . 4.2 m -135.56 -2.96 2.39 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.773 -1.205 . . . . 0.0 110.651 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -70.27 -39.93 70.79 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.296 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -75.92 -9.28 58.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.248 . . . . 0.0 109.289 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -77.39 143.63 38.52 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.6 -39.27 94.87 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.46 137.06 34.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -69.99 -25.0 63.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.661 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -48.43 161.34 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.04 -1.038 . . . . 0.0 109.176 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.428 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 19.3 tptp -50.94 -85.09 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.991 -1.068 . . . . 0.0 108.614 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 172.77 -175.4 0.05 Allowed 'General case' 0 N--CA 1.51 2.569 0 O-C-N 121.159 -0.963 . . . . 0.0 110.352 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -46.7 146.39 1.58 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.181 -1.574 . . . . 0.0 110.048 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.498 -0.751 . . . . 0.0 111.63 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -60.03 -40.58 89.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.568 -1.332 . . . . 0.0 110.598 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -71.81 -32.49 67.64 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.362 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -44.38 95.03 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.643 -1.285 . . . . 0.0 108.836 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -40.52 75.79 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.637 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.434 ' O ' ' OG1' ' B' ' 39' ' ' THR . 8.0 t70 -64.62 -40.0 94.72 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.136 -1.602 . . . . 0.0 109.859 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.7 -52.19 65.32 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.549 -0.719 . . . . 0.0 110.472 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.96 -39.87 69.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.975 -1.078 . . . . 0.0 111.923 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -22.09 66.69 Favored 'General case' 0 C--N 1.287 -2.14 0 O-C-N 120.672 -1.267 . . . . 0.0 108.405 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 94.5 m -72.63 -40.02 66.77 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.926 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 11.7 pt-20 -91.11 -7.48 51.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.355 -0.84 . . . . 0.0 110.267 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 93.8 mt -104.54 42.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.0 m -60.19 -39.7 87.44 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.129 -0.982 . . . . 0.0 109.992 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -58.51 -24.35 60.31 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 110.033 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -60.04 -23.43 63.73 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.547 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.23 -9.04 59.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.93 -40.05 87.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.303 -0.873 . . . . 0.0 109.966 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.17 82.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 110.764 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.28 17.05 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.009 -1.057 . . . . 0.0 108.435 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -103.64 -50.53 3.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.674 -0.641 . . . . 0.0 110.209 -178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -102.03 102.62 13.14 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.183 -0.948 . . . . 0.0 110.783 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.16 -18.73 57.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 108.597 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -71.71 -39.99 69.8 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.771 -0.581 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.4 66.92 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.803 . . . . 0.0 109.061 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.483 ' O ' ' SD ' ' B' ' 58' ' ' MET . 58.7 t -59.48 -40.03 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -60.92 -39.96 91.39 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.276 0.56 . . . . 0.0 110.583 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 37.3 ttpt -66.08 -41.73 90.34 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.173 -0.954 . . . . 0.0 109.752 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.57 -41.29 87.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.569 -0.707 . . . . 0.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -61.07 -28.73 69.29 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.261 -0.899 . . . . 0.0 109.214 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.28 -39.86 91.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.761 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 44.6 mp0 -70.05 -36.22 74.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.79 -1.194 . . . . 0.0 110.798 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 10.2 mt -75.89 -24.5 55.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.934 -1.104 . . . . 0.0 110.157 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -92.5 -29.6 16.14 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.82 -1.175 . . . . 0.0 110.927 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.516 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 21.9 pt-20 -69.48 -34.44 74.34 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.185 -0.947 . . . . 0.0 108.638 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' B' ' 63' ' ' GLU . 31.0 m120 -151.16 54.44 0.87 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.07 -29.74 15.41 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -86.62 0.08 55.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.582 -0.952 . . . . 0.0 109.267 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -74.1 -153.32 2.94 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mp0 -142.88 159.61 41.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -1.093 . . . . 0.0 110.525 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.92 160.01 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 32.6 t0 -127.49 -160.58 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.411 -0.806 . . . . 0.0 108.954 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.1 p90 -61.77 -45.44 93.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 0.0 111.363 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.603 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 61.9 tt0 -70.05 -27.23 64.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.699 -1.25 . . . . 0.0 109.783 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.507 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -81.01 -39.79 25.31 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 121.052 -1.03 . . . . 0.0 109.709 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.435 ' CZ ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -70.1 -39.31 75.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.133 -0.979 . . . . 0.0 108.694 179.202 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -73.35 -40.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.372 -0.83 . . . . 0.0 110.99 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.88 -41.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 O-C-N 121.441 -0.787 . . . . 0.0 111.029 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.72 -35.62 70.24 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.288 -0.883 . . . . 0.0 109.851 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.13 -40.06 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.852 . . . . 0.0 110.103 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.54 85.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -64.03 -34.31 77.72 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.2 tp -68.05 -40.01 82.89 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.925 -1.11 . . . . 0.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.534 ' O ' ' N ' ' B' ' 85' ' ' CYS . 4.1 m -63.91 -37.08 86.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.661 -1.274 . . . . 0.0 109.093 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.43 HG13 ' N ' ' B' ' 84' ' ' ALA . 1.9 p -50.84 -30.39 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.43 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -60.07 -37.32 79.57 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' B' ' 82' ' ' THR . 30.7 t -140.25 58.43 1.58 Allowed 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' B' ' 87' ' ' ASN . 65.0 t30 -48.41 -19.08 0.28 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.509 ' N ' ' C ' ' B' ' 85' ' ' CYS . 42.9 t30 47.0 172.59 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.412 179.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' B' ' 87' ' ' ASN . 70.7 t80 -179.66 -65.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -91.18 -21.83 20.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.129 -0.982 . . . . 0.0 109.28 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -88.44 56.36 3.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.53 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.408 ' HA ' HD22 ' B' ' 87' ' ' ASN . 13.4 pt-20 -66.12 140.02 58.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 0.0 109.413 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -70.19 156.77 38.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 0.0 109.601 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.51 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.902 0.382 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' B' ' 18' ' ' HIS . 50.6 mt -69.98 -40.45 75.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.87 -39.28 93.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.346 -0.846 . . . . 0.0 109.452 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.78 -39.78 86.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.506 -0.746 . . . . 0.0 109.59 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.17 84.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -0.911 . . . . 0.0 110.277 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.81 91.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.861 -1.149 . . . . 0.0 110.43 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.94 -40.01 94.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.046 -1.034 . . . . 0.0 110.686 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.5 m -63.06 -40.21 97.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.9 -1.125 . . . . 0.0 110.895 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 83.1 mt -60.42 -39.93 89.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.008 -1.057 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.08 -40.8 90.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.987 -1.07 . . . . 0.0 110.047 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.34 -41.63 98.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.93 -31.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.752 -1.218 . . . . 0.0 110.081 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m-30 -57.91 -38.61 76.18 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 20' ' ' GLY . 83.4 t60 -60.06 -36.04 76.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.56 -57.64 6.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.526 -1.359 . . . . 0.0 109.382 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' B' ' 4' ' ' LEU . 77.6 m80 -79.93 -47.83 14.39 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.968 -1.082 . . . . 0.0 111.056 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -81.02 -9.94 59.77 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.126 -0.984 . . . . 0.0 112.35 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.495 2.572 0 O-C-N 120.602 -1.311 . . . . 0.0 111.369 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.403 ' C ' ' H ' ' A' ' 28' ' ' LEU . 11.5 m-85 -50.01 172.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 69' ' ' VAL . 23.8 tptt -82.03 19.1 1.19 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.719 -1.238 . . . . 0.0 108.631 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 28' ' ' LEU . 2.9 mt 81.61 -176.06 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.789 0 CA-C-O 122.616 1.198 . . . . 0.0 112.004 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 m -67.67 150.93 48.09 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -56.41 -36.68 69.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.961 -1.087 . . . . 0.0 110.723 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -60.06 -44.16 94.92 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.77 -1.206 . . . . 0.0 110.101 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' LEU . 81.0 tt0 -73.53 -56.13 5.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.882 -1.136 . . . . 0.0 111.059 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.13 -39.42 2.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.898 -1.126 . . . . 0.0 110.587 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.907 ' N ' HD13 ' A' ' 33' ' ' LEU . 25.0 tptp -66.61 -40.27 88.73 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.311 -1.493 . . . . 0.0 110.212 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 44.0 t0 -60.23 -39.66 87.45 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.562 -1.336 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.94 -56.61 9.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.53 -0.731 . . . . 0.0 112.572 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.7 mm? -76.22 -40.09 53.0 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.733 -1.229 . . . . 0.0 112.193 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -54.76 -27.63 42.7 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.137 -0.977 . . . . 0.0 108.716 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -94.89 -41.67 9.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.509 -0.745 . . . . 0.0 109.107 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.99 -38.05 81.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.399 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 12.8 mt -86.4 39.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -46.05 -40.49 10.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.265 -0.897 . . . . 0.0 110.625 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 19.0 m -58.62 -16.71 17.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 26.8 t80 -59.97 -43.73 94.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.0 mp -63.93 -14.09 50.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' SER . 48.4 t0 -57.33 -35.71 70.23 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.386 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 47' ' ' VAL . 1.6 p -166.24 87.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.728 -1.232 . . . . 0.0 111.315 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.05 140.13 56.28 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.1 mmmt -108.97 -81.02 0.57 Allowed 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 -178.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -93.84 108.74 20.49 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.0 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.06 59.93 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -71.53 -40.02 70.34 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.73 58.11 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.168 -0.958 . . . . 0.0 108.828 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -40.0 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -60.34 -40.46 90.75 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.073 0.464 . . . . 0.0 111.415 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.72 -39.97 76.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 110.13 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 81' ' ' LEU . 1.5 mp -64.25 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -25.59 68.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.449 -0.782 . . . . 0.0 108.908 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -64.4 -40.02 94.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.5 -0.75 . . . . 0.0 111.067 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.29 -38.09 74.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.693 -1.255 . . . . 0.0 110.995 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD13 ' HB2' ' A' ' 34' ' ' LYS . 2.9 mt -78.91 -22.45 45.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.022 -1.049 . . . . 0.0 110.543 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.99 -30.25 15.43 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.777 -1.202 . . . . 0.0 109.996 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.17 -34.63 71.12 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 66' ' ' ASP . 48.3 t30 -151.65 56.76 0.86 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.74 -13.99 0.96 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 64' ' ' ASN . 97.0 m-20 -85.3 0.27 52.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -1.013 . . . . 0.0 108.904 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -62.21 -150.73 0.02 OUTLIER Glycine 0 N--CA 1.479 1.547 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -145.71 154.62 42.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.358 -1.083 . . . . 0.0 111.307 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.4 m -139.94 142.68 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.7 t0 -128.24 -154.74 0.65 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.3 p90 -61.32 -48.64 80.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.283 -0.886 . . . . 0.0 112.285 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 1.044 ' CD ' ' CG2' ' B' ' 83' ' ' VAL . 9.9 tt0 -70.01 -28.1 65.22 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.537 -1.352 . . . . 0.0 109.07 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 28.5 mm-40 -80.82 -36.96 30.89 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.2 t80 -69.93 -38.25 76.14 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.413 -0.804 . . . . 0.0 109.218 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.859 HG11 ' HB2' ' B' ' 79' ' ' ALA . 49.7 t -76.75 -42.56 33.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 O-C-N 121.499 -0.751 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.543 HG13 HG13 ' B' ' 76' ' ' VAL . 76.9 t -72.68 -39.98 61.19 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 O-C-N 121.272 -0.893 . . . . 0.0 110.417 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.31 -39.9 64.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.49 -0.756 . . . . 0.0 110.505 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 74' ' ' PHE . 88.6 t -71.98 -37.68 61.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.405 -0.809 . . . . 0.0 109.04 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.855 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -66.64 -36.72 83.24 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.524 ' HA ' ' OE1' ' B' ' 72' ' ' GLN . . . -60.25 -42.45 95.32 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.896 0.855 . . . . 0.0 108.754 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 57' ' ' ILE . 94.1 mt -60.1 -40.99 91.55 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.443 -1.411 . . . . 0.0 107.909 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 86' ' ' ASN . 1.2 m -49.97 -30.02 9.63 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.512 -0.742 . . . . 0.0 109.182 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.039 ' CG2' ' CD ' ' B' ' 72' ' ' GLN . 47.1 t -59.95 -45.51 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-O 122.291 1.043 . . . . 0.0 108.396 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.616 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -68.95 -21.87 64.16 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.861 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.3 t -135.94 29.74 3.11 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.567 -1.333 . . . . 0.0 108.165 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 82' ' ' THR . 40.9 p30 . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.831 . . . . 0.0 109.9 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 18' ' ' HIS . 50.8 mt -69.89 -40.64 75.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.028 -1.045 . . . . 0.0 109.157 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.67 -39.29 93.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.4 -0.812 . . . . 0.0 109.372 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.82 -39.9 86.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 109.53 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.23 84.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.0 110.284 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.67 92.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.993 -1.067 . . . . 0.0 110.489 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.97 -40.1 94.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.092 . . . . 0.0 110.821 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -62.92 -39.96 96.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.02 -1.05 . . . . 0.0 110.946 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.7 mt -60.49 -40.08 90.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.042 -1.036 . . . . 0.0 111.009 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -41.17 91.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.965 -1.084 . . . . 0.0 109.994 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.99 -41.58 99.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.177 -0.952 . . . . 0.0 111.401 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.18 -31.33 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.612 -1.305 . . . . 0.0 110.177 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 9.0 m-30 -58.3 -38.42 77.01 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' B' ' 20' ' ' GLY . 83.1 t60 -60.04 -35.84 75.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.58 7.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD11 ' A' ' 4' ' ' LEU . 92.7 m-70 -79.97 -48.03 14.02 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.943 -1.098 . . . . 0.0 111.001 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -80.87 -10.09 59.76 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.099 -1.001 . . . . 0.0 112.319 -177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.557 0 C-N-CA 119.44 -1.362 . . . . 0.0 111.433 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.411 ' C ' ' H ' ' B' ' 28' ' ' LEU . 11.4 m-85 -49.96 173.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 69' ' ' VAL . 23.2 tptt -82.31 19.22 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.812 1.292 . . . . 0.0 108.634 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.536 HD23 ' N ' ' B' ' 28' ' ' LEU . 2.9 mt 81.51 -176.24 0.05 Allowed 'General case' 0 N--CA 1.514 2.767 0 CA-C-O 122.513 1.149 . . . . 0.0 112.176 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -67.56 150.32 48.97 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -55.83 -36.98 68.08 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.987 -1.07 . . . . 0.0 110.677 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -60.02 -44.25 94.72 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.794 -1.191 . . . . 0.0 109.97 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 33' ' ' LEU . 81.0 tt0 -73.34 -56.24 5.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.784 -1.197 . . . . 0.0 111.08 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.946 ' O ' HD22 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -42.88 -39.4 2.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.94 -1.1 . . . . 0.0 110.61 -178.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.88 ' N ' HD13 ' B' ' 33' ' ' LEU . 24.9 tptp -66.83 -40.2 87.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.097 -1.627 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 44.6 t0 -60.06 -39.88 87.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.633 -1.292 . . . . 0.0 109.213 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.03 -56.53 9.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.581 -0.699 . . . . 0.0 112.638 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.552 HD22 ' N ' ' B' ' 37' ' ' LEU . 3.8 mm? -76.32 -40.16 52.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.7 -1.25 . . . . 0.0 112.224 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -54.52 -27.64 39.67 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 121.138 -0.976 . . . . 0.0 108.712 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -94.91 -41.68 9.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.451 -0.781 . . . . 0.0 109.085 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.95 -37.98 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 12.9 mt -86.76 39.47 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -45.74 -40.56 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.363 -0.836 . . . . 0.0 110.589 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 19.9 m -58.62 -16.95 18.26 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 27.2 t80 -60.07 -43.48 95.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.542 ' N ' HD12 ' B' ' 45' ' ' LEU . 10.1 mp -64.08 -14.25 53.23 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' B' ' 43' ' ' SER . 48.4 t0 -57.2 -35.66 69.89 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.282 -0.886 . . . . 0.0 109.404 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.5 ' O ' HG22 ' B' ' 47' ' ' VAL . 1.9 p -166.38 87.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.729 -1.232 . . . . 0.0 111.427 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.24 140.02 56.03 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.888 -1.132 . . . . 0.0 107.949 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.643 ' N ' ' O ' ' B' ' 84' ' ' ALA . 16.8 mmmt -108.85 -80.89 0.57 Allowed 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -93.95 108.64 20.42 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.15 0.976 . . . . 0.0 109.002 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.39 59.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -71.22 -39.88 71.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.514 -0.741 . . . . 0.0 109.797 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.84 56.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 108.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -40.0 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -60.37 -40.42 90.73 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 121.097 0.475 . . . . 0.0 111.498 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -69.98 -40.03 75.58 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.144 -0.972 . . . . 0.0 109.979 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.473 HG21 HD21 ' B' ' 81' ' ' LEU . 1.5 mp -64.12 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -25.91 68.27 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -64.21 -40.04 95.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 111.117 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.2 -38.4 75.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.656 -1.278 . . . . 0.0 110.984 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' B' ' 34' ' ' LYS . 2.9 mt -78.64 -22.73 46.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 110.567 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.8 -30.01 15.69 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.69 -1.256 . . . . 0.0 110.061 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.39 -34.47 70.42 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' B' ' 66' ' ' ASP . 48.9 t30 -151.56 56.42 0.87 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.5 -14.23 0.92 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' B' ' 64' ' ' ASN . 96.9 m-20 -85.07 0.03 52.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -1.05 . . . . 0.0 108.957 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -62.02 -150.83 0.02 OUTLIER Glycine 0 N--CA 1.48 1.581 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -145.78 154.74 42.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.246 -1.149 . . . . 0.0 111.042 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 m -139.96 142.67 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.8 t0 -128.24 -154.67 0.65 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.1 p90 -61.45 -48.8 79.49 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.297 -0.877 . . . . 0.0 112.218 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 1.039 ' CD ' ' CG2' ' A' ' 83' ' ' VAL . 10.0 tt0 -69.92 -28.02 65.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.511 -1.368 . . . . 0.0 109.047 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 29.2 mm-40 -80.83 -36.87 30.99 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.545 ' O ' HG23 ' B' ' 78' ' ' VAL . 4.5 t80 -70.04 -38.47 75.84 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.417 -0.802 . . . . 0.0 109.229 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 79' ' ' ALA . 53.7 t -76.33 -42.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.443 -0.786 . . . . 0.0 111.166 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.543 HG13 HG13 ' A' ' 76' ' ' VAL . 75.9 t -72.75 -39.99 60.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 O-C-N 121.216 -0.927 . . . . 0.0 110.493 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 110.405 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 74' ' ' PHE . 78.3 t -72.11 -37.75 60.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.332 -0.855 . . . . 0.0 109.015 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.859 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.56 -36.72 83.34 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.522 ' HA ' ' OE1' ' A' ' 72' ' ' GLN . . . -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.854 0.835 . . . . 0.0 108.821 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.473 HD21 HG21 ' B' ' 57' ' ' ILE . 92.4 mt -60.07 -40.9 91.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.457 -1.402 . . . . 0.0 107.766 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 86' ' ' ASN . 1.3 m -50.06 -30.02 10.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.436 -0.79 . . . . 0.0 109.27 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 1.044 ' CG2' ' CD ' ' A' ' 72' ' ' GLN . 46.7 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.938 -1.102 . . . . 0.0 108.429 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.643 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -68.95 -21.71 64.17 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.019 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -136.11 29.93 3.05 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.573 -1.329 . . . . 0.0 108.148 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.4 p30 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 0.0 109.961 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.02 0.438 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.584 HD13 HG11 ' B' ' 14' ' ' VAL . 0.7 OUTLIER -71.06 -42.08 69.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.896 -1.127 . . . . 0.0 110.341 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.32 -40.11 77.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.742 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.16 -39.9 88.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.355 -0.84 . . . . 0.0 109.764 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.75 91.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.178 -0.951 . . . . 0.0 110.324 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.814 -1.179 . . . . 0.0 110.03 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.9 -36.63 77.39 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 108.793 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -60.12 -38.7 83.81 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.507 -0.746 . . . . 0.0 109.935 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.862 -1.149 . . . . 0.0 110.356 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.18 -48.76 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.509 -1.369 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.99 -39.45 85.78 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.852 -1.155 . . . . 0.0 110.405 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.594 HG11 HD13 ' B' ' 4' ' ' LEU . 55.3 t -59.99 -38.93 78.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.043 -1.036 . . . . 0.0 110.088 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.77 -35.18 68.36 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.165 -0.959 . . . . 0.0 108.502 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -59.24 -37.64 78.06 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.33 -56.56 9.12 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 110.439 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -95.1 -48.47 5.94 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.675 -1.266 . . . . 0.0 111.283 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -73.73 -24.49 59.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.924 -1.11 . . . . 0.0 111.264 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -178.72 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' TYR . 49.5 mtmt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.204 0.526 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 64.2 m-85 -49.3 175.27 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 109.117 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HB3' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -57.63 -79.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.846 -1.159 . . . . 0.0 109.42 -179.051 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.48 -177.06 1.4 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.106 -0.996 . . . . 0.0 108.711 -179.418 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -69.18 155.44 40.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -57.11 -49.4 76.03 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.516 -1.365 . . . . 0.0 111.676 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.65 -46.31 90.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.084 -1.635 . . . . 0.0 110.825 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.67 -40.01 91.93 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.869 -1.145 . . . . 0.0 109.08 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -56.1 -39.99 72.99 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.534 -0.729 . . . . 0.0 109.502 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.735 ' N ' HD13 ' A' ' 33' ' ' LEU . 34.6 tptt -72.37 -51.95 18.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.709 -1.245 . . . . 0.0 111.306 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 51.2 t0 -57.56 -28.97 64.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.409 -1.432 . . . . 0.0 109.772 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.18 -56.09 5.31 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.77 -0.581 . . . . 0.0 110.777 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.48 -55.07 6.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.119 -0.988 . . . . 0.0 111.593 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -48.56 -25.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.131 -0.98 . . . . 0.0 108.562 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 m -80.28 -38.54 30.6 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.96 -17.18 53.6 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 HD22 ' A' ' 81' ' ' LEU . 29.0 mt -96.2 33.02 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.6 m -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.696 -0.628 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 52.3 m -64.7 -26.06 68.21 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.917 -1.114 . . . . 0.0 108.958 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 57.4 m-85 -70.11 -24.21 63.16 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.622 -1.299 . . . . 0.0 107.88 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 10.7 mp -74.4 -0.96 18.96 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 43' ' ' SER . 96.2 m-20 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.293 -0.88 . . . . 0.0 109.566 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.52 90.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.212 -0.93 . . . . 0.0 109.484 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 45' ' ' LEU . 25.5 mp0 -68.69 113.26 6.02 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.382 -0.824 . . . . 0.0 110.601 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 84' ' ' ALA . 32.1 mmtp -80.57 -69.98 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -100.89 95.43 6.61 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.144 0.973 . . . . 0.0 110.462 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.5 63.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.734 -1.229 . . . . 0.0 108.672 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -70.69 -39.9 73.23 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.5 62.54 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.1 t -59.69 -37.9 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 47.8 t0 -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.9 -0.5 . . . . 0.0 110.587 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -67.47 -39.43 85.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.911 -1.118 . . . . 0.0 109.364 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.518 HD11 ' CB ' ' A' ' 80' ' ' ALA . 83.0 mt -59.9 -40.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.566 0.698 . . . . 0.0 109.217 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.3 -35.84 81.42 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.087 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' OE1' ' CD1' ' A' ' 77' ' ' LEU . 98.9 mt-10 -60.88 -40.03 91.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 110.621 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 28.5 mt -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.077 -1.014 . . . . 0.0 109.11 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 56.0 t0 -85.41 -30.95 23.17 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 109.864 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.76 -40.01 90.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.389 -0.819 . . . . 0.0 108.86 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 13.7 p-10 -155.35 58.06 0.64 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -48.73 -27.37 6.19 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.58 0.05 57.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.98 . . . . 0.0 109.536 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.85 -154.3 1.36 Allowed Glycine 0 N--CA 1.479 1.535 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -143.94 159.25 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.335 -1.097 . . . . 0.0 111.267 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.689 HG23 ' HB3' ' A' ' 27' ' ' LYS . 15.7 m -133.49 146.92 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.507 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 3.8 m-20 -128.84 -152.88 0.54 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.24 -0.913 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.708 ' HZ ' HG22 ' B' ' 83' ' ' VAL . 8.8 p90 -59.49 -48.24 82.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.828 -0.545 . . . . 0.0 111.401 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 57.6 tt0 -69.97 -31.05 68.57 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.453 -1.405 . . . . 0.0 109.656 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 53.7 mp0 -83.52 -36.59 23.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.075 -1.016 . . . . 0.0 109.648 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 78' ' ' VAL . 9.9 t80 -70.02 -38.39 75.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 109.024 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' B' ' 79' ' ' ALA . 53.8 t -77.38 -44.53 30.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.067 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.829 HG13 HG13 ' B' ' 76' ' ' VAL . 95.8 t -71.56 -40.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 110.537 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD21 HG23 ' A' ' 57' ' ' ILE . 5.3 tp -71.92 -38.3 69.92 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.404 -0.81 . . . . 0.0 110.387 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 74' ' ' PHE . 72.2 t -69.63 -39.98 78.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.94 -1.1 . . . . 0.0 108.524 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -59.99 -38.63 83.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 81' ' ' LEU . 9.8 tt -62.15 -40.12 94.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.418 -1.426 . . . . 0.0 109.094 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.3 m -59.54 -30.6 68.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.559 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.734 HG22 ' HZ ' ' B' ' 71' ' ' PHE . 52.7 t -59.04 -39.96 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.83 -20.53 65.87 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.737 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 13.3 t -148.66 70.43 1.12 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.091 0.472 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.594 HD13 HG11 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -70.86 -42.26 70.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.986 -1.071 . . . . 0.0 110.345 -179.249 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.39 -39.92 77.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.035 -1.041 . . . . 0.0 109.721 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.15 -39.96 88.19 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.439 -0.788 . . . . 0.0 109.654 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.11 89.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.202 -0.937 . . . . 0.0 110.39 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.023 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.91 -36.57 77.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.18 -0.95 . . . . 0.0 108.804 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -38.91 83.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.431 -0.793 . . . . 0.0 109.917 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.853 -1.155 . . . . 0.0 110.375 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.08 -48.55 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.406 -1.434 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.01 -39.36 85.57 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.884 -1.135 . . . . 0.0 110.407 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.584 HG11 HD13 ' A' ' 4' ' ' LEU . 54.9 t -60.01 -38.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.001 -1.062 . . . . 0.0 110.162 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.93 -34.9 68.44 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -59.32 -37.86 78.85 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.09 -56.72 8.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.128 -0.982 . . . . 0.0 110.433 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.0 -48.73 5.86 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 120.653 -1.279 . . . . 0.0 111.25 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -73.5 -24.53 60.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.924 -1.11 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.412 0 C-N-CA 119.531 -1.319 . . . . 0.0 110.275 -178.735 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 26' ' ' TYR . 49.4 mtmt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 25' ' ' LYS . 64.2 m-85 -49.17 175.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.14 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.705 ' HB3' HG23 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -57.34 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.764 -1.21 . . . . 0.0 109.374 -179.099 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -173.05 -177.12 1.51 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.034 -1.041 . . . . 0.0 108.736 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -69.07 155.42 40.39 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -57.08 -49.53 75.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.516 -1.365 . . . . 0.0 111.565 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -60.68 -46.38 90.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.127 -1.608 . . . . 0.0 110.862 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -65.62 -39.97 92.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.877 -1.139 . . . . 0.0 109.031 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.746 HD13 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -56.03 -39.99 72.8 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.558 -0.714 . . . . 0.0 109.542 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.746 ' N ' HD13 ' B' ' 33' ' ' LEU . 33.4 tptt -72.28 -52.18 17.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.815 -1.178 . . . . 0.0 111.265 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 51.5 t0 -57.47 -28.91 63.81 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.423 -1.423 . . . . 0.0 109.788 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.15 -56.06 5.35 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.694 -0.628 . . . . 0.0 110.775 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.46 -55.13 5.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.199 -0.938 . . . . 0.0 111.627 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.33 -25.85 1.77 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.239 -0.913 . . . . 0.0 108.537 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 13.2 m -80.01 -38.76 31.38 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.97 -16.99 54.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.462 HD13 HD22 ' B' ' 81' ' ' LEU . 25.4 mt -96.17 32.66 1.89 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.95 -40.07 87.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.663 -0.648 . . . . 0.0 110.711 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 53.5 m -64.62 -26.08 68.24 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.831 -1.168 . . . . 0.0 108.943 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 57.7 m-85 -70.27 -23.89 62.96 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.468 -1.293 . . . . 0.0 107.915 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 48' ' ' GLN . 10.6 mp -74.52 -1.1 19.89 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' B' ' 43' ' ' SER . 96.0 m-20 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.753 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.43 90.52 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.173 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 45' ' ' LEU . 25.7 mp0 -68.96 113.28 6.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.709 0.766 . . . . 0.0 110.547 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' B' ' 84' ' ' ALA . 32.4 mmtp -80.47 -70.05 0.55 Allowed 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.8 95.51 6.69 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-O 122.159 0.98 . . . . 0.0 110.489 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.8 63.88 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.769 -1.207 . . . . 0.0 108.742 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -70.64 -39.9 73.38 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.8 62.1 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.292 -0.88 . . . . 0.0 109.498 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.493 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.1 t -59.88 -37.83 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 47.8 t0 -60.04 -40.03 87.96 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.963 -0.461 . . . . 0.0 110.621 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -39.54 86.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.528 HD11 ' CB ' ' B' ' 80' ' ' ALA . 77.9 mt -60.07 -40.0 82.01 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.542 0.687 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttm -65.96 -35.96 82.03 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -60.02 -40.07 88.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.142 -0.974 . . . . 0.0 110.208 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' B' ' 77' ' ' LEU . 99.0 mt-10 -61.16 -40.04 92.37 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.253 -0.904 . . . . 0.0 110.525 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 30.2 mt -59.6 -27.44 66.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.109 -0.995 . . . . 0.0 109.168 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 57.4 t0 -85.69 -30.76 22.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.354 -0.841 . . . . 0.0 109.743 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.9 -40.03 91.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.352 -0.843 . . . . 0.0 108.807 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' B' ' 64' ' ' ASN . 13.6 p-10 -155.31 58.03 0.64 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -48.57 -27.57 6.09 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.57 0.05 57.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.485 -1.009 . . . . 0.0 109.563 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.96 -154.21 1.37 Allowed Glycine 0 N--CA 1.479 1.551 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -144.1 159.17 43.09 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.401 -1.058 . . . . 0.0 111.361 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.705 HG23 ' HB3' ' B' ' 27' ' ' LYS . 16.7 m -133.55 146.87 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.491 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 3.6 m-20 -128.73 -152.84 0.54 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.734 ' HZ ' HG22 ' A' ' 83' ' ' VAL . 9.0 p90 -59.51 -47.99 83.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.712 -0.617 . . . . 0.0 111.453 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.624 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 57.8 tt0 -70.09 -31.1 68.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.456 -1.402 . . . . 0.0 109.566 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 54.6 mp0 -83.57 -36.56 23.88 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.965 -1.084 . . . . 0.0 109.737 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.574 ' O ' HG23 ' B' ' 78' ' ' VAL . 8.9 t80 -70.05 -38.41 75.81 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 109.037 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 79' ' ' ALA . 53.3 t -77.2 -44.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.12 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.829 HG13 HG13 ' A' ' 76' ' ' VAL . 97.3 t -71.48 -40.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.343 -0.848 . . . . 0.0 110.515 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 57' ' ' ILE . 5.4 tp -72.09 -38.05 69.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 74' ' ' PHE . 75.6 t -69.57 -40.04 79.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.985 -1.072 . . . . 0.0 108.525 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.538 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -60.15 -39.89 87.94 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.528 ' CB ' HD11 ' B' ' 57' ' ' ILE . . . -59.97 -38.77 83.48 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.51 HD23 ' C ' ' B' ' 81' ' ' LEU . 10.0 tt -62.33 -39.9 94.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.383 -1.448 . . . . 0.0 109.021 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.0 m -59.49 -30.44 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 0.0 109.445 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.708 HG22 ' HZ ' ' A' ' 71' ' ' PHE . 55.6 t -59.23 -39.95 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.95 -20.36 65.82 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.773 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 12.1 t -148.75 70.54 1.12 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.801 -1.187 . . . . 0.0 107.89 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.795 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.346 0.593 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -79.11 -50.25 11.32 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.25 -39.57 93.29 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.0 109.948 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.09 -40.12 92.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.438 -0.789 . . . . 0.0 110.122 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.18 90.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 110.354 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.94 93.27 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.035 -1.041 . . . . 0.0 109.433 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.8 -38.06 86.7 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.137 -0.977 . . . . 0.0 109.678 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -59.75 -40.19 87.31 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 110.124 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 87.1 mt -60.14 -40.76 90.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.98 -1.075 . . . . 0.0 110.409 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.1 -40.65 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.423 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.22 -40.28 95.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 25.5 t -73.8 -31.46 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.745 -1.222 . . . . 0.0 110.893 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.0 m-30 -55.91 -39.83 72.19 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.57 ' O ' ' N ' ' A' ' 20' ' ' GLY . 7.2 m-70 -62.93 -24.99 68.12 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.87 -50.54 73.4 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.011 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -90.41 -14.79 32.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.228 -0.92 . . . . 0.0 111.382 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 m -137.76 11.75 2.92 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.679 -1.263 . . . . 0.0 111.718 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.46 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mttp . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -51.67 168.04 0.09 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.845 -1.159 . . . . 0.0 108.133 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HB3' HG23 ' A' ' 69' ' ' VAL . 23.5 tptp -67.28 -80.33 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.978 -1.077 . . . . 0.0 109.744 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.18 -178.2 1.7 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 -178.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.462 ' H ' ' CD1' ' A' ' 28' ' ' LEU . 97.1 p -69.1 157.35 37.03 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -59.34 -48.28 82.24 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.695 -1.253 . . . . 0.0 112.304 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -60.55 -44.64 95.91 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 119.842 -1.786 . . . . 0.0 111.716 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.44 -40.83 73.53 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.663 -1.273 . . . . 0.0 108.858 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -48.93 -51.45 30.11 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.516 0.674 . . . . 0.0 109.755 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.694 ' N ' HD13 ' A' ' 33' ' ' LEU . 7.5 tptm -65.11 -40.23 94.23 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.552 -1.342 . . . . 0.0 111.913 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.65 -34.93 73.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.493 -1.38 . . . . 0.0 109.062 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 mt -72.25 -55.32 7.4 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.87 -42.45 63.65 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 119.601 -1.937 . . . . 0.0 111.245 -178.04 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -74.47 -39.79 62.27 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.435 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.03 -17.53 52.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.884 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 mt -100.98 32.95 2.99 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.141 -0.974 . . . . 0.0 108.653 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.585 0.707 . . . . 0.0 110.279 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -61.25 -26.82 68.02 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.517 -0.739 . . . . 0.0 110.087 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 32.2 m-85 -70.08 -19.91 63.24 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.78 -8.72 57.54 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' CG ' HG22 ' A' ' 47' ' ' VAL . 30.5 p-10 -48.91 -43.15 39.02 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.424 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.542 HG22 ' CG ' ' A' ' 46' ' ' ASP . 1.5 m -152.09 88.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.86 . . . . 0.0 109.275 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -68.43 111.36 4.62 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.022 -1.049 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.676 ' N ' ' O ' ' A' ' 84' ' ' ALA . 43.5 mmtm -79.53 -68.04 0.7 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -93.46 90.4 6.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 122.169 0.985 . . . . 0.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.57 -17.37 62.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.462 -0.774 . . . . 0.0 109.069 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.87 -38.41 76.39 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 121.626 -0.671 . . . . 0.0 109.605 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.55 60.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.213 -0.929 . . . . 0.0 109.96 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -58.61 -39.16 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.224 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.1 -40.56 90.1 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.26 0.552 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.2 -41.18 98.12 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.124 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 77' ' ' LEU . 77.6 mt -60.35 -41.02 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.611 -0.681 . . . . 0.0 109.74 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -56.68 -34.29 67.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.078 -1.014 . . . . 0.0 109.028 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.41 -39.78 91.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.04 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.48 -39.04 88.55 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.026 -1.046 . . . . 0.0 110.626 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 15.8 mt -69.64 -26.44 64.41 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 110.887 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -88.95 -37.04 15.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.552 -1.342 . . . . 0.0 110.305 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.4 -33.39 71.33 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLY . 26.5 m120 -145.5 45.59 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.396 -0.815 . . . . 0.0 109.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.26 -31.17 19.38 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.93 -0.3 56.81 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.474 -1.015 . . . . 0.0 108.484 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -65.57 -149.94 0.08 OUTLIER Glycine 0 N--CA 1.477 1.418 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -154.07 155.24 35.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.112 . . . . 0.0 110.967 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.698 HG21 ' HG ' ' A' ' 33' ' ' LEU . 23.0 m -133.82 153.27 36.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 15.7 m-20 -127.54 -158.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.575 -0.703 . . . . 0.0 109.449 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 33.3 p90 -59.48 -49.42 77.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.703 -0.623 . . . . 0.0 112.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.684 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.9 tt0 -69.99 -27.29 64.59 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.344 -1.472 . . . . 0.0 109.591 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 40.4 mt-10 -81.7 -38.97 24.98 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.756 0.789 . . . . 0.0 109.121 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -69.72 -38.51 76.92 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.461 -0.775 . . . . 0.0 109.228 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' B' ' 79' ' ' ALA . 54.7 t -73.34 -41.35 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.502 -0.749 . . . . 0.0 110.835 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG13 HG13 ' B' ' 76' ' ' VAL . 83.1 t -69.84 -40.61 79.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.147 -0.971 . . . . 0.0 109.46 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD11 HG23 ' A' ' 57' ' ' ILE . 8.9 tt -68.87 -38.03 79.46 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.417 -0.802 . . . . 0.0 110.545 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 74' ' ' PHE . 71.4 t -69.17 -40.17 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.903 -1.123 . . . . 0.0 109.282 -178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.578 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -61.17 -38.57 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.522 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD23 HG22 ' A' ' 54' ' ' VAL . 86.9 mt -65.23 -36.03 82.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.324 -1.485 . . . . 0.0 109.141 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -61.03 -36.84 80.61 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.086 -1.009 . . . . 0.0 109.462 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.85 -39.66 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -60.78 -24.58 65.88 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.404 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.536 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 18.1 t -144.46 60.68 1.34 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' ASN . 9.4 p-10 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.812 -1.18 . . . . 0.0 108.568 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.255 0.55 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.24 -49.82 11.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.576 -0.703 . . . . 0.0 110.581 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -61.93 -40.03 94.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.96 -1.088 . . . . 0.0 109.914 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.54 -40.91 93.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.838 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.78 91.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.498 -0.751 . . . . 0.0 110.42 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.12 92.73 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.181 -0.949 . . . . 0.0 109.514 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.25 -37.96 84.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.694 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.7 m -59.84 -39.5 85.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.268 -0.895 . . . . 0.0 109.981 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.2 mt -60.54 -41.07 93.74 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.882 -1.136 . . . . 0.0 110.596 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.87 -42.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.017 -1.052 . . . . 0.0 110.233 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.84 -40.35 92.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.017 -1.052 . . . . 0.0 111.454 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' ALA . 25.4 t -73.58 -33.43 39.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 120.549 -1.344 . . . . 0.0 110.596 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.3 m-30 -54.11 -39.94 66.86 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 20' ' ' GLY . 6.1 m-70 -61.94 -26.8 68.41 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -59.8 -47.91 83.82 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.569 -1.332 . . . . 0.0 109.398 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -92.5 -14.14 28.83 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.965 -1.084 . . . . 0.0 111.168 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -138.5 11.85 2.75 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.132 -0.98 . . . . 0.0 111.54 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.502 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -50.98 168.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.997 -1.064 . . . . 0.0 108.369 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HB3' HG23 ' B' ' 69' ' ' VAL . 23.6 tptp -68.35 -80.97 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.677 -1.265 . . . . 0.0 109.975 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.534 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -171.23 -178.81 2.49 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.106 -0.996 . . . . 0.0 109.231 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.47 ' H ' ' CD1' ' B' ' 28' ' ' LEU . 97.7 p -69.56 156.96 38.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -59.1 -49.17 78.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.431 -1.418 . . . . 0.0 112.359 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -59.91 -44.17 94.45 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.755 -1.841 . . . . 0.0 111.633 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.51 -41.05 73.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.539 -1.351 . . . . 0.0 109.102 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.706 HD21 HD11 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -49.12 -50.74 35.86 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.306 0.574 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.662 ' N ' HD13 ' B' ' 33' ' ' LEU . 6.9 tptm -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 120.762 -1.211 . . . . 0.0 111.424 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.738 -1.226 . . . . 0.0 109.4 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.52 -54.08 10.24 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.778 HD23 ' N ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -73.17 -42.4 62.79 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.018 -1.676 . . . . 0.0 111.243 -177.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.57 -29.17 67.76 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -74.45 -39.56 62.46 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.659 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.01 -19.11 48.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.494 -0.754 . . . . 0.0 109.268 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -99.53 32.84 2.66 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.196 -0.94 . . . . 0.0 109.053 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.085 -1.009 . . . . 0.0 110.365 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 85.1 p -63.31 -24.87 68.05 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.397 -0.815 . . . . 0.0 109.515 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.537 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 32.9 m-85 -71.13 -19.67 62.41 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.26 -7.17 54.32 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.558 ' CG ' HG22 ' B' ' 47' ' ' VAL . 29.5 p-10 -49.94 -43.77 50.06 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.237 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.558 HG22 ' CG ' ' B' ' 46' ' ' ASP . 1.2 m -151.84 89.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.876 -1.14 . . . . 0.0 109.041 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.97 111.89 5.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.937 . . . . 0.0 109.738 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.701 ' N ' ' O ' ' B' ' 84' ' ' ALA . 45.0 mmtm -79.83 -69.97 0.55 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.89 90.19 7.35 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 122.276 1.036 . . . . 0.0 109.995 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.85 62.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.59 -39.17 77.47 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.78 -0.575 . . . . 0.0 109.842 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.74 64.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.564 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -58.49 -39.07 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.43 -41.24 93.58 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.575 0.703 . . . . 0.0 110.196 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.58 -41.6 97.63 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.11 -0.994 . . . . 0.0 109.783 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' B' ' 80' ' ' ALA . 75.0 mt -60.14 -40.65 84.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.472 -0.768 . . . . 0.0 109.363 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -56.87 -35.55 69.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.129 -0.982 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.46 -40.5 91.43 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 110.567 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.62 -39.19 91.21 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.731 -1.231 . . . . 0.0 110.637 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 17.3 mt -69.47 -26.77 64.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.707 -1.245 . . . . 0.0 110.913 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -88.06 -37.95 15.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.672 -1.268 . . . . 0.0 110.501 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.59 0.71 . . . . 0.0 109.425 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -145.94 45.41 1.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.85 -32.39 18.38 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -86.19 -1.67 57.66 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.39 -150.24 0.08 OUTLIER Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -152.52 156.62 39.75 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.346 1.07 . . . . 0.0 111.071 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.689 HG21 ' HG ' ' B' ' 33' ' ' LEU . 17.3 m -134.42 153.51 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.593 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 14.7 m-20 -127.63 -158.0 0.85 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.717 0.77 . . . . 0.0 109.455 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 34.5 p90 -60.53 -49.44 77.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.898 -0.502 . . . . 0.0 111.882 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.692 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 65.4 tt0 -70.42 -26.49 63.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.336 -1.478 . . . . 0.0 109.364 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.593 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 43.0 mt-10 -81.67 -39.49 24.29 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.298 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.667 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.0 OUTLIER -69.12 -38.8 79.06 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.458 0.646 . . . . 0.0 109.352 179.138 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 79' ' ' ALA . 55.9 t -73.63 -41.16 55.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.276 -0.89 . . . . 0.0 110.862 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 72' ' ' GLN . 81.4 t -70.3 -39.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.432 HD11 HG23 ' B' ' 57' ' ' ILE . 10.0 tt -69.84 -38.44 76.52 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.849 -0.532 . . . . 0.0 110.219 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 74' ' ' PHE . 84.5 t -67.78 -40.62 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.751 -1.218 . . . . 0.0 108.734 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.612 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.11 -39.02 88.42 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.512 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.5 -38.9 85.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.431 -1.418 . . . . 0.0 108.999 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -60.37 -36.97 79.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.439 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.512 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -59.86 -39.02 78.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.701 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -60.9 -24.27 65.86 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 121.07 -1.019 . . . . 0.0 109.569 -179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.537 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 22.9 t -144.93 61.83 1.31 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' B' ' 86' ' ' ASN . 7.5 p-10 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 120.734 0.302 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.5 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 69.5 mt -73.53 -40.84 63.7 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.766 -1.209 . . . . 0.0 110.495 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.758 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 87.6 tt0 -61.96 -41.97 98.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.006 -1.059 . . . . 0.0 110.339 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.5 m -62.85 -40.03 96.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 111.064 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.1 76.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.992 -1.068 . . . . 0.0 111.176 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 tpt -59.98 -43.32 95.19 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.22 -39.94 88.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.022 -1.049 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -39.02 84.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.643 . . . . 0.0 110.275 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 110.114 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.94 -46.08 94.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.889 -1.132 . . . . 0.0 110.098 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.04 -40.88 95.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 111.708 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.82 -40.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 120.359 -1.463 . . . . 0.0 110.953 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.96 -33.35 64.7 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 20' ' ' GLY . 42.8 t-80 -57.86 -31.68 66.93 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.86 39.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.3 -41.0 64.07 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.894 -1.129 . . . . 0.0 110.807 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 3.4 m -103.67 19.89 19.01 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.962 -1.086 . . . . 0.0 111.053 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.486 2.01 0 C-N-CA 118.396 -1.859 . . . . 0.0 109.712 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 26' ' ' TYR . 97.6 mttt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' LYS . 84.7 m-85 -47.85 173.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.537 -0.727 . . . . 0.0 109.047 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' O ' ' OG ' ' A' ' 19' ' ' SER . 26.7 tptt -54.21 -76.85 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.666 -1.271 . . . . 0.0 108.898 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 69' ' ' VAL . 7.6 tp -171.31 -178.86 2.48 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.369 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' LEU . 4.3 m -70.04 155.28 40.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.467 -1.396 . . . . 0.0 109.622 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -59.9 -45.16 93.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLY . 41.8 tptt -70.13 -41.61 73.68 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.15 -0.969 . . . . 0.0 109.29 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -69.97 -37.67 75.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 108.922 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.734 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.0 tm? -55.24 -44.62 75.68 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.063 -1.023 . . . . 0.0 109.353 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 61' ' ' LEU . 1.1 tppp? -66.63 -47.85 71.3 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.415 -1.428 . . . . 0.0 112.41 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 60.7 t0 -60.16 -40.09 88.69 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.444 -1.41 . . . . 0.0 110.047 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.77 -54.6 15.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.686 -0.634 . . . . 0.0 112.468 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD11 ' HE2' ' A' ' 74' ' ' PHE . 3.5 mm? -70.25 -39.97 74.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.636 -1.29 . . . . 0.0 111.722 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.47 -29.06 67.55 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.682 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -79.05 -43.69 23.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.741 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 80.4 tt0 -60.34 -39.33 86.71 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 41.7 mt -89.83 37.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -48.11 -38.6 18.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 109.578 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 27.6 t -56.81 -16.22 6.19 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 16.6 t80 -50.89 -38.6 50.65 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.61 -11.7 54.65 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.607 ' CG ' HG22 ' A' ' 47' ' ' VAL . 15.2 p-10 -58.12 -42.82 86.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.447 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.607 HG22 ' CG ' ' A' ' 46' ' ' ASP . 6.7 m -159.43 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.242 -0.911 . . . . 0.0 110.174 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 9.3 pt20 -69.06 116.31 9.36 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.8 mmmp? -90.61 -80.12 0.34 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.382 -0.824 . . . . 0.0 110.526 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.62 101.09 11.91 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.034 -1.041 . . . . 0.0 110.276 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.56 60.83 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.97 -40.03 75.61 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.05 61.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.229 -0.919 . . . . 0.0 108.757 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -36.4 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.0 -41.3 91.79 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 121.525 -0.734 . . . . 0.0 109.471 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.6 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.38 -0.825 . . . . 0.0 109.115 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 80' ' ' ALA . 79.5 mt -60.0 -43.39 92.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.731 -0.606 . . . . 0.0 110.965 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.409 ' CE ' ' HZ3' ' A' ' 34' ' ' LYS . 25.0 mmt -60.55 -29.84 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 109.392 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -64.6 -40.06 94.83 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.36 -40.15 89.6 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.823 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 65' ' ' GLY . 4.6 mt -72.97 -26.9 61.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.928 -1.107 . . . . 0.0 109.181 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.93 -40.02 75.77 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.13 -39.85 87.72 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' ND2' ' CA ' ' A' ' 67' ' ' GLY . 64.0 t30 -154.24 70.81 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.95 -31.85 73.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 31.4 p-10 -84.58 0.59 49.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.996 . . . . 0.0 109.229 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' CA ' ' ND2' ' A' ' 64' ' ' ASN . . . -61.38 -149.71 0.01 OUTLIER Glycine 0 N--CA 1.48 1.569 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.31 159.84 43.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.467 -1.019 . . . . 0.0 110.153 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 28' ' ' LEU . 4.9 m -135.59 148.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 27.1 t0 -122.31 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.125 -0.985 . . . . 0.0 110.228 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -60.56 -49.14 78.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.586 -0.696 . . . . 0.0 111.355 -178.062 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.617 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 tm0? -70.25 -28.31 65.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.887 -1.133 . . . . 0.0 110.072 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 39.6 mt-10 -80.78 -35.14 33.56 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.288 -0.882 . . . . 0.0 108.695 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 78' ' ' VAL . 7.5 t80 -69.44 -39.12 78.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 109.185 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.476 HG13 HG13 ' B' ' 75' ' ' VAL . 53.2 t -75.1 -40.37 44.45 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.072 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.341 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 72' ' ' GLN . 69.1 t -72.48 -40.92 64.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 121.312 -0.867 . . . . 0.0 110.503 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.13 -39.9 68.47 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.491 -0.755 . . . . 0.0 110.384 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 74' ' ' PHE . 95.3 t -69.58 -39.37 78.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.93 -37.82 83.65 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.91 -23.34 63.21 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.93 0.871 . . . . 0.0 108.863 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 54' ' ' VAL . 2.9 tp -80.36 -35.98 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.647 -1.283 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' CYS . 83.6 m -69.93 -39.7 75.96 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.018 -1.051 . . . . 0.0 109.656 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.4 p -57.11 -37.17 54.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.29 -23.66 67.52 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 47' ' ' VAL . 48.6 t -145.15 64.92 1.26 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.708 0.766 . . . . 0.0 110.211 -177.236 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.426 ' N ' ' OE1' ' B' ' 3' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.785 0.326 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.486 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 68.7 mt -73.48 -41.04 63.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.779 -1.201 . . . . 0.0 110.476 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.741 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 86.4 tt0 -61.38 -42.32 98.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.98 -1.075 . . . . 0.0 110.475 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.71 -40.05 95.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.01 77.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 111.184 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.92 -43.62 94.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.912 -1.117 . . . . 0.0 110.506 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -40.1 88.21 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.971 -1.081 . . . . 0.0 109.282 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.614 -0.679 . . . . 0.0 110.152 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.73 -40.03 86.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.118 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -45.95 95.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.881 -1.137 . . . . 0.0 110.13 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.25 -40.66 94.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.017 -1.052 . . . . 0.0 111.682 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' B' ' 17' ' ' ALA . 67.4 t -61.1 -39.93 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.342 -1.474 . . . . 0.0 110.9 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -55.9 -33.32 64.53 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' B' ' 20' ' ' GLY . 43.0 t-80 -57.76 -31.91 66.96 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -61.1 -54.48 44.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.45 -40.86 63.85 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.85 -1.156 . . . . 0.0 110.866 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 3.4 m -103.73 19.84 19.15 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.928 -1.107 . . . . 0.0 111.165 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.972 0 C-N-CA 118.605 -1.76 . . . . 0.0 109.743 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 26' ' ' TYR . 97.7 mttt . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.435 ' O ' ' O ' ' B' ' 25' ' ' LYS . 83.8 m-85 -47.96 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.45 -0.781 . . . . 0.0 109.122 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' O ' ' OG ' ' B' ' 19' ' ' SER . 27.0 tptt -54.07 -77.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.431 -1.308 . . . . 0.0 109.021 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.626 ' O ' HG22 ' B' ' 69' ' ' VAL . 7.6 tp -171.1 -178.52 2.47 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.407 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 33' ' ' LEU . 4.2 m -70.42 155.33 40.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.399 -1.438 . . . . 0.0 109.625 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.03 -44.81 94.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.972 -1.08 . . . . 0.0 108.785 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' GLY . 42.8 tptt -70.16 -41.89 73.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.276 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -69.94 -37.44 75.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.735 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.1 tm? -55.43 -44.6 76.44 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.083 -1.01 . . . . 0.0 109.268 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.428 ' HB2' ' CD1' ' B' ' 61' ' ' LEU . 1.2 tppp? -66.43 -48.25 70.6 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.454 -1.404 . . . . 0.0 112.329 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 61.0 t0 -60.19 -40.0 88.47 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.46 -1.4 . . . . 0.0 110.08 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.85 -54.4 15.89 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.637 -0.664 . . . . 0.0 112.446 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.413 HD11 ' HE2' ' B' ' 74' ' ' PHE . 3.5 mm? -70.42 -39.85 74.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.601 -1.312 . . . . 0.0 111.676 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -59.66 -28.82 67.59 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 119.368 -0.933 . . . . 0.0 108.7 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -79.04 -43.65 23.81 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.758 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 78.9 tt0 -60.36 -39.29 86.66 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 44' ' ' PHE . 44.6 mt -89.99 37.49 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.2 t -47.97 -39.27 18.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.787 . . . . 0.0 109.577 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 27.2 t -56.74 -16.05 5.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 41' ' ' LEU . 15.8 t80 -51.03 -38.82 53.75 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.97 -12.24 53.47 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.61 ' CG ' HG22 ' B' ' 47' ' ' VAL . 15.2 p-10 -57.98 -43.03 86.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.093 -1.004 . . . . 0.0 109.628 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.61 HG22 ' CG ' ' B' ' 46' ' ' ASP . 6.9 m -159.22 93.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.939 . . . . 0.0 110.114 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' B' ' 48' ' ' GLN . 8.8 pt20 -69.16 116.17 9.3 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' B' ' 84' ' ' ALA . 1.7 mmmp? -90.83 -80.0 0.35 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.424 -0.797 . . . . 0.0 110.461 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.47 101.21 12.09 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.083 -1.01 . . . . 0.0 110.185 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.68 -16.54 60.76 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.688 -0.633 . . . . 0.0 109.391 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.2 60.63 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.276 -0.89 . . . . 0.0 108.836 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.504 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.87 -36.48 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -41.15 91.87 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.579 -0.7 . . . . 0.0 109.335 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.76 -39.99 95.6 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.903 0.859 . . . . 0.0 109.103 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' B' ' 80' ' ' ALA . 78.4 mt -60.13 -43.08 92.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.611 -0.681 . . . . 0.0 111.009 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.73 -29.8 69.59 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.79 -40.03 94.58 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.508 -0.745 . . . . 0.0 110.291 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.34 -40.04 89.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.692 -1.255 . . . . 0.0 110.844 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 65' ' ' GLY . 4.6 mt -73.0 -26.88 61.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.928 -1.107 . . . . 0.0 109.11 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.1 -40.04 75.18 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.88 -40.1 87.53 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 64.1 t30 -154.16 70.59 0.81 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.95 -31.49 72.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 29.8 p-10 -84.79 0.49 50.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.447 -1.031 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.435 ' CA ' ' ND2' ' B' ' 64' ' ' ASN . . . -61.68 -149.43 0.02 OUTLIER Glycine 0 N--CA 1.481 1.647 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.25 159.9 43.12 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.478 -1.013 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.2 m -135.58 148.21 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 26.9 t0 -122.36 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.1 p90 -60.53 -49.22 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.591 -0.693 . . . . 0.0 111.37 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 9.7 tm0? -70.1 -28.54 65.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.899 -1.126 . . . . 0.0 110.096 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 37.8 mt-10 -80.82 -34.75 33.69 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.11 -0.994 . . . . 0.0 108.724 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.503 ' O ' HG23 ' B' ' 78' ' ' VAL . 6.2 t80 -69.89 -38.93 76.48 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.844 0.83 . . . . 0.0 109.171 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.476 HG13 HG13 ' A' ' 75' ' ' VAL . 50.3 t -75.24 -40.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.062 0 O-C-N 121.51 -0.744 . . . . 0.0 111.378 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.62 -40.74 62.71 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.144 -0.973 . . . . 0.0 110.565 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.28 -39.67 68.17 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 110.273 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 74' ' ' PHE . 89.6 t -69.99 -38.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.469 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.16 -37.77 84.08 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.589 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -70.06 -23.66 63.12 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.787 0.803 . . . . 0.0 108.886 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.46 HD12 HG22 ' B' ' 54' ' ' VAL . 3.7 tp -79.97 -35.94 36.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 109.429 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' C ' ' B' ' 85' ' ' CYS . 86.4 m -70.03 -39.92 75.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.965 -1.085 . . . . 0.0 109.613 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -56.55 -37.58 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.08 -23.48 67.46 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' B' ' 47' ' ' VAL . 48.6 t -145.6 64.74 1.24 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.714 0.768 . . . . 0.0 110.184 -177.213 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.0 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.108 0.48 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.688 ' HG ' ' CD2' ' B' ' 37' ' ' LEU . 2.8 mm? -78.39 -51.88 9.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.068 -1.02 . . . . 0.0 110.58 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.97 -39.92 87.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.28 -0.888 . . . . 0.0 109.416 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -39.97 87.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.217 -0.927 . . . . 0.0 109.929 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.69 89.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.236 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.76 91.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.098 -1.001 . . . . 0.0 109.468 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.97 -39.42 85.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 0.0 109.316 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -59.79 -37.58 79.52 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 80.0 mt -58.28 -36.38 73.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.443 -0.786 . . . . 0.0 109.305 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mm -60.05 -40.09 82.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 120.978 -1.077 . . . . 0.0 108.816 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.15 -28.47 65.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.186 -0.946 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.871 -1.143 . . . . 0.0 110.411 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' SER . 10.0 m-85 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.509 -0.745 . . . . 0.0 109.165 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.09 -39.25 85.48 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.89 4.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.317 -0.864 . . . . 0.0 112.527 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CG ' HD21 ' A' ' 36' ' ' LEU . 81.4 m-70 -102.26 -0.01 33.66 Favored 'General case' 0 N--CA 1.514 2.739 0 O-C-N 120.725 -1.234 . . . . 0.0 112.05 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.5 m -139.19 12.41 2.6 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.613 -1.305 . . . . 0.0 109.864 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.776 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.193 0.521 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.8 p90 -54.16 165.61 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 43.9 tptt -50.76 -91.79 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.62 -1.3 . . . . 0.0 109.667 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 176.41 -176.27 0.12 Allowed 'General case' 0 N--CA 1.511 2.625 0 O-C-N 120.916 -1.115 . . . . 0.0 110.667 179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -49.3 144.55 5.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.684 -1.26 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HG2' HG13 ' A' ' 69' ' ' VAL . 12.3 mtmm -62.49 -42.04 99.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.481 -0.762 . . . . 0.0 112.2 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -62.91 -42.14 99.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.362 -1.461 . . . . 0.0 110.285 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.66 -31.35 68.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.055 -1.028 . . . . 0.0 109.364 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.735 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.1 tm? -59.99 -43.73 94.97 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 109.281 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HZ3' ' HG2' ' A' ' 58' ' ' MET . 3.9 tmtp? -66.22 -53.03 42.0 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.721 -1.237 . . . . 0.0 112.123 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.01 84.63 Favored 'General case' 0 C--N 1.289 -2.039 0 O-C-N 120.634 -1.291 . . . . 0.0 110.113 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 18' ' ' HIS . 61.0 tp -63.59 -56.46 15.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.562 -0.711 . . . . 0.0 112.229 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' B' ' 4' ' ' LEU . 87.7 mt -75.62 -35.82 60.38 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.396 -1.44 . . . . 0.0 112.366 -177.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -53.3 -32.83 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 120.869 -1.144 . . . . 0.0 108.376 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.9 m -73.65 -41.18 63.06 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.072 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' B' ' 4' ' ' LEU . 33.0 tp10 -69.95 -38.56 76.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -0.818 . . . . 0.0 108.899 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD13 HD22 ' A' ' 81' ' ' LEU . 64.4 mt -87.36 34.15 0.69 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -60.17 -39.98 88.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.639 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.6 t -58.61 -30.33 67.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.111 -0.993 . . . . 0.0 108.431 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.4 m-85 -69.74 -34.95 74.54 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.34 -1.5 4.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' PHE . 57.8 t0 -59.98 -42.61 94.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.0 108.915 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.65 87.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.234 -0.917 . . . . 0.0 109.714 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -68.93 117.86 11.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.176 -0.952 . . . . 0.0 108.931 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 84' ' ' ALA . 67.1 mmtt -80.01 -69.88 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -98.35 87.78 3.97 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.167 0.984 . . . . 0.0 108.371 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.55 64.83 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -68.28 -39.74 82.04 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.59 77.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.978 -1.076 . . . . 0.0 108.356 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.569 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.36 -35.53 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.9 -40.01 91.48 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.784 -0.572 . . . . 0.0 111.266 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 4.1 mptp? -67.76 -40.03 84.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.957 -1.09 . . . . 0.0 109.664 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.95 -41.51 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.494 ' HG2' ' HZ3' ' A' ' 34' ' ' LYS . 37.6 mtt -63.0 -25.82 68.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -60.36 -40.78 91.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 110.629 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 50.4 mp0 -70.39 -39.78 74.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -72.09 -23.63 61.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.045 -1.034 . . . . 0.0 110.162 -178.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.58 -30.24 18.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.587 -1.321 . . . . 0.0 109.257 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.599 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -83.59 -25.59 30.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.551 -0.718 . . . . 0.0 109.464 -179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.599 ' ND2' ' OE2' ' A' ' 63' ' ' GLU . 83.8 m-20 -139.66 37.74 2.02 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.98 -29.16 13.82 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -79.02 -5.04 52.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.409 -1.053 . . . . 0.0 109.38 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.86 -160.64 9.54 Favored Glycine 0 N--CA 1.475 1.261 0 N-CA-C 108.669 -1.773 . . . . 0.0 108.669 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.44 159.99 41.38 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.605 -0.938 . . . . 0.0 110.132 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG13 ' HG2' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -129.07 149.35 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 27.5 t0 -120.95 -161.8 0.92 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.418 -0.801 . . . . 0.0 109.994 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -60.06 -48.42 81.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.355 -0.84 . . . . 0.0 111.745 -177.458 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.777 ' OE1' ' HB ' ' B' ' 83' ' ' VAL . 62.1 tt0 -70.01 -29.15 66.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 109.49 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 27.1 mt-10 -77.36 -39.78 46.24 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.371 -0.831 . . . . 0.0 109.458 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -69.94 -35.0 74.17 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.493 -0.754 . . . . 0.0 109.116 179.725 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' B' ' 79' ' ' ALA . 46.2 t -73.39 -40.6 56.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.648 -0.657 . . . . 0.0 110.873 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.6 t -71.58 -40.07 70.78 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.523 -0.736 . . . . 0.0 110.254 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.0 tt -70.7 -40.18 73.01 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.71 -0.619 . . . . 0.0 110.7 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 74' ' ' PHE . 73.6 t -72.05 -40.05 66.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.642 -0.662 . . . . 0.0 110.054 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.79 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.21 -38.11 89.87 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.832 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 41' ' ' LEU . 7.3 tt -60.58 -40.15 90.67 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.893 -1.13 . . . . 0.0 109.789 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -60.01 -39.83 87.16 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.062 -1.023 . . . . 0.0 109.388 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.832 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.3 p -53.8 -33.39 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 108.869 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -67.43 -21.61 65.56 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 32.2 t -139.69 57.98 1.62 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 p30 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.65 -1.281 . . . . 0.0 108.922 -179.34 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' B' ' 3' ' ' GLU . 56.3 mp0 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.123 0.487 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -78.53 -51.64 9.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 110.659 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.274 -0.891 . . . . 0.0 109.428 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.09 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.902 . . . . 0.0 109.74 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.936 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -39.86 89.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.97 -39.48 85.83 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.275 -0.891 . . . . 0.0 109.472 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.75 -37.51 79.17 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.412 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 76.8 mt -58.67 -36.18 73.75 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.081 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.94 -40.14 82.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.838 -1.164 . . . . 0.0 108.817 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -70.03 -28.4 65.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.171 -0.955 . . . . 0.0 110.735 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.13 -49.31 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.789 -1.194 . . . . 0.0 110.503 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' B' ' 11' ' ' LEU . 10.1 m-85 -68.9 -27.3 65.65 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.408 -0.808 . . . . 0.0 109.112 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.11 -38.91 84.42 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.39 -58.08 4.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.118 -0.989 . . . . 0.0 112.367 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -101.89 -0.17 34.44 Favored 'General case' 0 N--CA 1.514 2.765 0 O-C-N 120.7 -1.25 . . . . 0.0 112.201 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.404 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.5 m -139.08 12.87 2.63 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.688 -1.258 . . . . 0.0 109.892 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.598 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 37.0 p90 -54.17 165.74 0.47 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 43.3 tptt -50.77 -91.44 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.539 -1.351 . . . . 0.0 109.637 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 176.09 -176.3 0.12 Allowed 'General case' 0 N--CA 1.514 2.726 0 O-C-N 120.876 -1.14 . . . . 0.0 110.657 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -49.07 144.83 4.54 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.727 -1.233 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.6 ' HG2' HG13 ' B' ' 69' ' ' VAL . 12.7 mtmm -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.402 -0.811 . . . . 0.0 112.219 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.9 -41.94 99.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.361 -1.462 . . . . 0.0 110.296 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.77 -31.45 68.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.072 -1.018 . . . . 0.0 109.391 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.724 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.1 tm? -59.79 -43.95 94.16 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.967 -1.083 . . . . 0.0 109.377 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.477 ' HZ3' ' HG2' ' B' ' 58' ' ' MET . 3.9 tmtp? -66.15 -53.07 42.16 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.725 -1.234 . . . . 0.0 112.164 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.89 -39.06 84.07 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 120.577 -1.327 . . . . 0.0 110.083 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.76 -56.3 16.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.547 -0.72 . . . . 0.0 112.2 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.688 ' CD2' ' HG ' ' A' ' 4' ' ' LEU . 90.2 mt -75.58 -36.2 60.42 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.297 -1.502 . . . . 0.0 112.419 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -53.17 -32.74 49.36 Favored 'General case' 0 C--N 1.284 -2.25 0 O-C-N 121.052 -1.03 . . . . 0.0 108.325 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 71.9 m -73.58 -41.15 63.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.488 -0.758 . . . . 0.0 108.992 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 4' ' ' LEU . 32.5 tp10 -70.1 -38.67 75.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 108.896 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.424 HD13 HD22 ' B' ' 81' ' ' LEU . 70.3 mt -87.2 34.05 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.824 . . . . 0.0 110.765 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 36.8 t -58.65 -30.64 67.47 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 47.2 m-85 -69.74 -34.42 73.82 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.85 -1.57 5.77 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' B' ' 44' ' ' PHE . 58.7 t0 -59.84 -42.59 93.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 108.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 m -150.79 87.47 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.0 109.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -68.97 117.92 11.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 108.857 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' B' ' 84' ' ' ALA . 67.6 mmtt -80.09 -70.01 0.55 Allowed 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -98.25 87.56 3.94 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 122.062 0.934 . . . . 0.0 108.518 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.0 -19.21 64.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -68.57 -39.72 80.88 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.45 77.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.037 -1.039 . . . . 0.0 108.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.578 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.38 -35.55 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.461 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -61.01 -40.05 92.09 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.433 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 4.1 mptp? -67.78 -39.7 84.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.791 -1.193 . . . . 0.0 109.672 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.02 -41.41 86.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.477 ' HG2' ' HZ3' ' B' ' 34' ' ' LYS . 37.4 mtt -63.26 -25.59 68.39 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.23 -0.918 . . . . 0.0 109.376 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -60.74 -40.27 91.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.289 -0.882 . . . . 0.0 110.652 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 50.8 mp0 -70.69 -39.62 73.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.764 -1.21 . . . . 0.0 111.003 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.49 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 0.4 OUTLIER -72.21 -23.64 61.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.077 -1.015 . . . . 0.0 110.05 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.54 -30.33 18.29 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.576 -1.327 . . . . 0.0 109.271 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.601 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -83.44 -25.75 30.95 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.441 -0.787 . . . . 0.0 109.426 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.601 ' ND2' ' OE2' ' B' ' 63' ' ' GLU . 84.2 m-20 -139.65 37.91 2.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -29.83 15.08 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -78.15 -5.32 51.32 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.407 -1.054 . . . . 0.0 109.463 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.92 -160.33 9.36 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -143.6 159.85 41.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.662 -0.905 . . . . 0.0 110.134 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.6 HG13 ' HG2' ' B' ' 30' ' ' LYS . 0.6 OUTLIER -128.88 149.48 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 27.8 t0 -121.06 -161.91 0.93 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.441 -0.787 . . . . 0.0 109.962 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -60.0 -48.33 82.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.358 -0.839 . . . . 0.0 111.853 -177.318 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.798 ' OE1' ' HB ' ' A' ' 83' ' ' VAL . 60.4 tt0 -70.02 -28.99 65.93 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.674 -1.266 . . . . 0.0 109.386 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.479 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 26.9 mt-10 -77.56 -39.72 44.88 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.293 -0.879 . . . . 0.0 109.443 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.408 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -69.99 -35.09 74.14 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.506 -0.746 . . . . 0.0 109.113 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.79 HG11 ' HB2' ' A' ' 79' ' ' ALA . 48.9 t -73.24 -40.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 CA-C-O 121.427 0.632 . . . . 0.0 110.763 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.1 t -71.6 -40.01 70.51 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.488 -0.758 . . . . 0.0 110.387 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.483 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.8 tt -70.63 -39.94 73.39 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.597 -0.689 . . . . 0.0 110.699 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 74' ' ' PHE . 73.9 t -72.37 -40.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.606 -0.684 . . . . 0.0 109.915 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.769 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -63.16 -37.97 89.31 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.829 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.424 HD22 HD13 ' B' ' 41' ' ' LEU . 7.3 tt -61.14 -39.95 92.01 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.889 -1.132 . . . . 0.0 109.872 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.7 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.006 -1.059 . . . . 0.0 109.373 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.829 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -53.47 -33.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.224 -0.923 . . . . 0.0 108.803 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.614 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -67.26 -21.48 65.72 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 32.7 t -140.1 57.95 1.6 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 p30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 120.67 -1.269 . . . . 0.0 108.818 -179.461 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 38.7 mp0 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.75 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 31.3 mt -69.19 -39.99 78.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.568 -0.708 . . . . 0.0 109.439 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 88.7 tt0 -65.15 -39.97 93.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.75 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 110.0 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.01 -44.63 94.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.213 -0.929 . . . . 0.0 110.167 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.4 mmm -59.99 -38.88 83.87 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.156 -0.965 . . . . 0.0 109.976 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.462 -1.399 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -63.08 -37.94 89.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.425 -0.797 . . . . 0.0 108.961 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 7' ' ' ALA . 8.7 mp -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.429 -0.794 . . . . 0.0 109.332 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.15 -45.04 96.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.021 -1.049 . . . . 0.0 109.793 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.25 -45.7 92.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 112.005 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.65 -38.49 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.707 -1.246 . . . . 0.0 110.539 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.02 -39.62 82.47 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 20' ' ' GLY . 38.4 t-80 -60.01 -33.93 72.66 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.76 -0.588 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.96 -54.84 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.942 -1.099 . . . . 0.0 110.437 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -74.39 -40.37 62.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.722 -1.236 . . . . 0.0 110.397 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -80.05 -19.06 48.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.183 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.268 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 4.0 m-85 -50.0 164.21 0.12 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 27.4 tptt -49.89 -89.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.704 -1.247 . . . . 0.0 108.78 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -179.8 -178.12 0.43 Allowed 'General case' 0 N--CA 1.512 2.641 0 O-C-N 120.877 -1.139 . . . . 0.0 111.738 178.705 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -53.25 148.86 7.89 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.426 -0.796 . . . . 0.0 111.181 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -60.09 -39.8 87.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.763 -0.586 . . . . 0.0 111.505 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.03 -42.56 94.63 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.983 -1.698 . . . . 0.0 108.566 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.661 HD11 HD11 ' A' ' 37' ' ' LEU . 2.7 tm? -48.61 -48.91 38.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.648 -0.658 . . . . 0.0 109.638 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -53.56 53.27 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.515 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -50.1 -29.94 10.0 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.355 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' A' ' 28' ' ' LEU . 85.8 mt -76.08 -58.12 3.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 111.862 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -60.04 -51.54 69.18 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.505 -1.372 . . . . 0.0 110.713 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -57.81 -20.22 34.21 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.252 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.66 -34.9 16.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.442 -0.786 . . . . 0.0 110.825 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.886 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 9.7 pt-20 -81.57 -10.04 59.54 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.806 -1.184 . . . . 0.0 109.456 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.9 mt -108.13 45.32 1.02 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 8.3 t -45.35 -36.15 4.01 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.736 -1.228 . . . . 0.0 109.972 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 28.6 t -70.82 -14.41 62.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.99 -1.069 . . . . 0.0 109.88 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -58.94 -45.73 89.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.269 -1.52 . . . . 0.0 108.577 -179.452 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -65.47 -8.92 21.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.822 -1.174 . . . . 0.0 108.43 179.2 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 43' ' ' SER . 49.4 t0 -60.11 -40.06 88.38 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.228 -0.92 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.2 p -164.26 75.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 111.634 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.85 122.57 19.51 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.635 -1.291 . . . . 0.0 108.256 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 84' ' ' ALA . 29.1 mtpt -107.46 -46.03 3.94 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.576 -0.702 . . . . 0.0 111.222 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.07 100.06 10.87 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.87 -1.144 . . . . 0.0 110.521 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -18.47 55.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.73 -0.606 . . . . 0.0 109.915 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.02 -39.85 75.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.434 -0.792 . . . . 0.0 109.588 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.24 63.0 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.988 -1.07 . . . . 0.0 108.333 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 84' ' ' ALA . 84.6 t -56.49 -39.0 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 48.3 t0 -60.1 -39.99 88.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -39.91 86.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.928 -1.108 . . . . 0.0 109.001 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 80' ' ' ALA . 74.4 mt -59.97 -42.55 89.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.017 -1.052 . . . . 0.0 109.228 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mmt -63.8 -24.24 67.68 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.722 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.99 -39.92 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 0.0 110.816 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -72.75 -39.72 66.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.688 -1.257 . . . . 0.0 110.728 -178.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.31 -22.29 48.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.556 -1.34 . . . . 0.0 110.031 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.36 -36.17 22.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.918 . . . . 0.0 108.866 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -26.66 51.25 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -154.01 60.69 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.73 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -34.51 83.86 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.46 -0.98 35.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -1.147 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.99 -146.6 0.18 Allowed Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.4 159.54 39.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.27 -1.135 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 28' ' ' LEU . 2.5 m -133.11 154.39 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 32.4 t0 -118.08 -164.15 0.99 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.325 -0.859 . . . . 0.0 109.659 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -59.99 -47.15 87.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.818 . . . . 0.0 111.129 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.577 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.2 tm0? -69.77 -32.91 71.67 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.179 -0.95 . . . . 0.0 109.649 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.507 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 79.0 mm-40 -69.97 -40.02 75.62 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 108.737 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.706 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.0 t80 -67.12 -33.69 76.0 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.845 0.831 . . . . 0.0 109.305 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.4 t -74.18 -40.01 50.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.045 -1.034 . . . . 0.0 111.207 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.68 -45.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 O-C-N 121.638 -0.664 . . . . 0.0 110.916 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.14 -35.41 74.03 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 74' ' ' PHE . 99.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.06 82.04 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HB3' HD11 ' A' ' 57' ' ' ILE . . . -65.16 -33.12 75.26 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.662 0.744 . . . . 0.0 109.2 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -67.59 -42.1 83.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.766 -1.209 . . . . 0.0 108.361 179.516 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 5.3 m -62.31 -36.41 82.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.806 -1.183 . . . . 0.0 109.263 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 t -50.08 -31.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -60.98 -40.15 92.35 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' THR . 19.7 p -128.45 47.47 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' B' ' 3' ' ' GLU . 38.9 mp0 . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.795 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 28.4 mt -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.423 -0.798 . . . . 0.0 109.429 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.886 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 88.6 tt0 -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.79 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.33 -0.856 . . . . 0.0 109.918 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.435 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -59.9 -44.64 94.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 110.228 -179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -60.08 -38.81 84.01 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.086 -1.009 . . . . 0.0 109.876 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.511 -1.368 . . . . 0.0 108.633 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.15 -37.96 89.28 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 7' ' ' ALA . 8.7 mp -60.01 -39.97 87.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.77 . . . . 0.0 109.356 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.25 -45.03 96.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.04 -1.037 . . . . 0.0 109.805 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.1 -45.9 91.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.275 -0.891 . . . . 0.0 111.953 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.43 -38.61 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.74 -1.225 . . . . 0.0 110.563 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.09 -39.59 82.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' B' ' 20' ' ' GLY . 38.3 t-80 -59.97 -34.13 72.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.811 -0.556 . . . . 0.0 109.859 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.9 -54.94 40.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.966 -1.084 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.3 -40.06 62.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.599 -1.313 . . . . 0.0 110.433 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 m -80.28 -19.1 47.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 110.788 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.156 0 C-N-CA 119.686 -1.245 . . . . 0.0 110.243 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 4.0 m-85 -49.87 164.12 0.11 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.53 ' NZ ' ' CE2' ' B' ' 74' ' ' PHE . 27.8 tptt -49.82 -89.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.624 -1.298 . . . . 0.0 108.738 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -179.73 -178.23 0.44 Allowed 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.879 -1.138 . . . . 0.0 111.704 178.719 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -53.05 148.96 7.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.366 -0.834 . . . . 0.0 111.276 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.06 -39.81 87.32 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.71 -0.619 . . . . 0.0 111.511 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.1 -42.51 94.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.055 -1.653 . . . . 0.0 108.555 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.26 -39.96 74.66 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.645 HD11 HD11 ' B' ' 37' ' ' LEU . 2.6 tm? -48.76 -48.67 40.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.705 -0.622 . . . . 0.0 109.733 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -53.38 55.55 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.496 -1.281 . . . . 0.0 110.471 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -50.09 -29.95 10.01 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 118.764 -1.175 . . . . 0.0 110.465 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' B' ' 28' ' ' LEU . 87.9 mt -76.27 -58.0 3.54 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.177 -0.952 . . . . 0.0 111.884 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.65 HD13 HG22 ' B' ' 78' ' ' VAL . 0.3 OUTLIER -59.99 -51.54 69.24 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.512 -1.368 . . . . 0.0 110.77 -178.463 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -57.88 -20.08 34.19 Favored 'General case' 0 C--N 1.28 -2.438 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.379 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.73 -34.75 16.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 0.0 110.755 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.871 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 9.7 pt-20 -81.73 -10.04 59.48 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.849 -1.157 . . . . 0.0 109.342 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 42' ' ' SER . 87.8 mt -108.13 45.31 1.03 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 8.3 t -45.41 -36.27 4.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.751 -1.218 . . . . 0.0 109.913 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 23.8 t -70.55 -14.48 62.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.984 -1.072 . . . . 0.0 109.872 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER -58.87 -45.9 89.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.318 -1.488 . . . . 0.0 108.631 -179.419 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.5 OUTLIER -65.36 -9.01 21.16 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.797 -1.189 . . . . 0.0 108.435 179.204 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' B' ' 43' ' ' SER . 49.1 t0 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.552 HG13 ' O ' ' B' ' 47' ' ' VAL . 7.1 p -164.46 76.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.934 -1.104 . . . . 0.0 111.563 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.83 122.66 19.68 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 120.675 -1.265 . . . . 0.0 108.144 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' B' ' 84' ' ' ALA . 29.5 mtpt -107.59 -45.99 3.92 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.656 -0.652 . . . . 0.0 111.126 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.04 100.01 10.83 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.855 -1.153 . . . . 0.0 110.549 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.39 55.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.638 -0.663 . . . . 0.0 109.96 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.04 -40.03 75.37 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.448 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -50.42 62.66 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 108.331 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' B' ' 84' ' ' ALA . 81.6 t -56.4 -39.0 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' B' ' 55' ' ' ASP . 47.9 t0 -60.13 -40.07 88.46 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -40.0 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.866 -1.146 . . . . 0.0 109.013 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' B' ' 80' ' ' ALA . 74.2 mt -59.99 -42.57 90.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.061 -1.024 . . . . 0.0 109.257 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.7 -24.35 67.74 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.36 -0.837 . . . . 0.0 109.739 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.94 -40.04 83.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 110.776 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 0.9 OUTLIER -72.68 -39.85 66.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.625 -1.297 . . . . 0.0 110.78 -178.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' B' ' 61' ' ' LEU . 2.7 mt -78.32 -22.28 48.36 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.601 -1.312 . . . . 0.0 110.026 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -84.37 -36.09 22.71 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.219 -0.925 . . . . 0.0 108.833 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -26.41 51.12 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -154.31 60.87 0.7 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.416 -0.803 . . . . 0.0 109.707 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.93 -34.97 85.41 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.1 -1.08 34.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -1.063 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.04 -146.75 0.19 Allowed Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -155.19 159.47 40.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 0.0 110.609 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 28' ' ' LEU . 2.2 m -133.02 154.37 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 32.9 t0 -118.04 -164.05 0.99 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.341 -0.849 . . . . 0.0 109.664 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.0 p90 -60.12 -46.9 88.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.422 -0.799 . . . . 0.0 111.137 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.2 tm0? -70.02 -32.72 71.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.173 -0.954 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 79.5 mm-40 -70.06 -39.97 75.37 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.708 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.9 t80 -67.31 -33.79 76.0 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.854 0.835 . . . . 0.0 109.295 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 71' ' ' PHE . 54.6 t -73.99 -40.05 51.76 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.12 -0.988 . . . . 0.0 111.162 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.03 -44.87 74.92 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.562 -0.711 . . . . 0.0 111.002 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.39 -35.16 73.31 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.459 -0.775 . . . . 0.0 110.14 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 74' ' ' PHE . 98.6 t -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.95 . . . . 0.0 109.758 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.32 82.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.468 ' HB3' HD11 ' B' ' 57' ' ' ILE . . . -64.83 -33.25 75.56 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.621 0.724 . . . . 0.0 109.14 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -67.53 -42.19 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.753 -1.217 . . . . 0.0 108.44 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.406 ' O ' ' N ' ' B' ' 85' ' ' CYS . 5.1 m -62.27 -36.48 82.19 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.81 -1.181 . . . . 0.0 109.261 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 t -49.98 -32.17 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.67 -40.44 92.09 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.994 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' B' ' 82' ' ' THR . 20.4 p -128.2 47.37 2.43 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 120.995 0.426 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.96 -43.79 70.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.063 -1.023 . . . . 0.0 112.607 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -60.71 -37.01 80.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.416 -1.428 . . . . 0.0 109.672 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.93 -38.57 82.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.907 . . . . 0.0 108.968 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.65 76.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.827 . . . . 0.0 109.965 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -60.02 -40.89 90.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.008 -1.057 . . . . 0.0 110.607 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.772 -1.205 . . . . 0.0 109.994 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -63.57 -40.12 96.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.0 111.526 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.47 -40.11 90.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.921 -1.112 . . . . 0.0 110.35 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.84 -42.24 95.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.122 -0.986 . . . . 0.0 109.923 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -62.54 -43.03 99.83 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.274 -0.891 . . . . 0.0 111.833 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 t -69.93 -38.28 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.741 -1.224 . . . . 0.0 110.92 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.3 m-30 -55.39 -39.01 69.64 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.4 t-80 -59.63 -29.42 68.0 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.11 -56.47 21.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.823 -1.173 . . . . 0.0 110.095 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.4 -40.01 58.38 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.776 -1.203 . . . . 0.0 110.388 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 71.6 m -101.76 19.99 17.13 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.159 -0.963 . . . . 0.0 111.374 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.305 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.518 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m-85 -52.73 168.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.687 ' HB3' HG23 ' A' ' 69' ' ' VAL . 35.4 tptt -52.41 -93.39 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.445 -1.409 . . . . 0.0 109.247 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -179.96 -177.65 0.39 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.104 -1.623 . . . . 0.0 111.022 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p -46.63 146.86 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.831 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HB3' HD23 ' A' ' 61' ' ' LEU . 42.1 mtpt -60.05 -43.14 95.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.407 -0.808 . . . . 0.0 110.729 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.09 -40.96 91.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.731 -1.23 . . . . 0.0 111.561 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -81.72 -25.95 35.01 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.949 -1.094 . . . . 0.0 109.872 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -62.55 -44.46 96.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.537 -1.352 . . . . 0.0 109.373 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.988 ' N ' HD13 ' A' ' 33' ' ' LEU . 9.7 tttm -81.45 -31.91 32.84 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.478 -1.388 . . . . 0.0 111.101 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -65.35 -40.05 93.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.661 -1.275 . . . . 0.0 108.995 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.49 -55.28 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.489 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.617 HD21 ' CE2' ' A' ' 74' ' ' PHE . 7.4 mp -70.0 -22.92 63.08 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.653 -1.279 . . . . 0.0 109.271 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -60.0 -31.59 70.06 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -71.42 -43.06 67.45 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.331 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.1 -22.33 55.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.917 -1.114 . . . . 0.0 108.776 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -96.44 18.79 13.25 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 45' ' ' LEU . 58.2 m -60.03 -39.55 86.29 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.594 0.711 . . . . 0.0 109.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -80.1 -23.77 41.02 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.305 -0.872 . . . . 0.0 109.191 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 46' ' ' ASP . 8.1 m-85 -69.63 -58.67 3.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.328 -0.858 . . . . 0.0 109.771 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -67.38 11.14 0.13 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.751 -1.218 . . . . 0.0 108.902 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 44' ' ' PHE . 39.8 t0 -59.12 -39.32 81.95 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.486 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 10.5 m -125.8 55.59 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' VAL . 26.8 mt-30 -40.04 110.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 122.001 0.905 . . . . 0.0 110.619 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -79.96 -64.55 1.16 Allowed 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -98.5 99.23 10.37 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.129 -0.982 . . . . 0.0 108.598 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.6 -19.27 58.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.49 -0.756 . . . . 0.0 109.989 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -39.97 75.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.407 -0.808 . . . . 0.0 109.33 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.78 46.82 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 109.084 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.2 t -58.3 -38.28 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.93 87.51 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.239 0.542 . . . . 0.0 109.573 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -62.71 -39.99 95.76 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 109.25 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.406 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.7 mp -61.75 -43.04 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.56 -0.712 . . . . 0.0 109.996 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.99 -29.0 69.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.003 -1.06 . . . . 0.0 109.491 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -65.26 -40.0 93.4 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 110.49 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.57 -40.93 66.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.473 -1.392 . . . . 0.0 110.177 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 34' ' ' LYS . 14.4 mt -70.22 -26.48 63.88 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.49 -0.756 . . . . 0.0 110.977 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.65 -34.72 13.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.795 -1.191 . . . . 0.0 110.607 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -65.87 -37.73 86.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.79 56.26 1.14 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -57.71 -16.44 23.38 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 8.5 t0 -82.42 -7.85 59.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -1.047 . . . . 0.0 110.222 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.66 -145.65 0.07 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -156.23 159.94 39.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -1.118 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.723 HG21 ' HG ' ' A' ' 33' ' ' LEU . 15.2 m -135.49 151.57 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 28.2 t0 -129.08 -154.15 0.62 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.276 -0.89 . . . . 0.0 109.281 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 6.7 p90 -59.78 -47.46 85.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.505 -0.747 . . . . 0.0 111.356 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.1 tm0? -70.7 -32.01 69.07 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.581 -1.324 . . . . 0.0 110.242 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.8 mt-10 -83.54 -32.79 25.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.992 -1.067 . . . . 0.0 108.685 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.617 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.2 t80 -69.9 -39.24 76.34 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.04 0.924 . . . . 0.0 109.036 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' B' ' 79' ' ' ALA . 42.2 t -77.78 -44.53 28.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 O-C-N 121.62 -0.675 . . . . 0.0 111.527 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.601 HG13 HG13 ' B' ' 76' ' ' VAL . 61.4 t -71.47 -40.94 72.85 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 O-C-N 121.125 -0.984 . . . . 0.0 110.748 -177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.26 -39.99 71.24 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.334 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.3 t -71.62 -39.38 69.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.468 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.713 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -60.21 -39.99 88.55 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.188 0.994 . . . . 0.0 108.669 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.9 tt -61.51 -35.95 79.16 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.855 -1.153 . . . . 0.0 108.066 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ASN . 8.9 m -58.47 -31.0 67.41 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.344 -0.847 . . . . 0.0 109.104 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' B' ' 72' ' ' GLN . 55.6 t -59.98 -41.38 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.06 -1.025 . . . . 0.0 108.815 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.534 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.0 m -120.88 36.56 4.55 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 82' ' ' THR . 63.6 t30 . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.032 0.444 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.85 -43.95 70.86 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.11 -0.994 . . . . 0.0 112.565 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.8 -37.02 80.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.377 -1.452 . . . . 0.0 109.69 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -59.98 -38.5 82.72 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.263 -0.898 . . . . 0.0 108.945 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.73 -37.85 77.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -60.1 -41.1 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.947 -1.095 . . . . 0.0 110.411 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.86 -42.1 98.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.797 -1.19 . . . . 0.0 110.028 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.334 -0.854 . . . . 0.0 111.474 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.58 -39.91 89.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.827 -1.171 . . . . 0.0 110.46 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.05 -42.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.09 -1.006 . . . . 0.0 109.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.47 -42.83 99.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 111.923 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.93 -38.37 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.796 -1.19 . . . . 0.0 111.043 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.416 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.4 m-30 -55.32 -39.04 69.47 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.6 t-80 -59.8 -29.26 68.1 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.77 17.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.8 -1.187 . . . . 0.0 110.194 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.19 -39.95 59.76 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.904 -1.123 . . . . 0.0 110.444 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.3 m -101.8 20.03 17.11 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.112 -0.993 . . . . 0.0 111.324 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.167 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.552 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 3.3 m-85 -52.71 168.66 0.11 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.686 ' HB3' HG23 ' B' ' 69' ' ' VAL . 35.7 tptt -52.25 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.534 -1.354 . . . . 0.0 109.132 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.506 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -179.95 -177.41 0.38 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.174 -1.579 . . . . 0.0 111.019 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -46.63 146.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.147 -0.971 . . . . 0.0 109.807 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.463 ' HB3' HD23 ' B' ' 61' ' ' LEU . 42.4 mtpt -59.92 -43.37 94.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.445 -0.784 . . . . 0.0 110.705 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -41.09 91.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.785 -1.197 . . . . 0.0 111.483 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -81.9 -25.88 34.61 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.958 -1.089 . . . . 0.0 109.831 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.989 HD13 ' N ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -62.45 -44.4 96.5 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.543 -1.348 . . . . 0.0 109.429 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.989 ' N ' HD13 ' B' ' 33' ' ' LEU . 9.3 tttm -81.54 -31.85 32.52 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.39 -1.444 . . . . 0.0 111.055 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -65.35 -39.99 93.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.833 -1.167 . . . . 0.0 109.076 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.56 -55.38 13.66 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.451 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.636 HD21 ' CE2' ' B' ' 74' ' ' PHE . 7.3 mp -69.88 -23.21 63.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.778 -1.201 . . . . 0.0 109.343 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 26.2 tp60 -59.99 -31.19 69.69 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.9 m -71.76 -42.66 66.93 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.775 -0.578 . . . . 0.0 110.481 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -76.45 -22.01 55.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.805 -1.184 . . . . 0.0 108.694 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -97.04 19.53 12.7 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.42 ' O ' HD23 ' B' ' 45' ' ' LEU . 61.3 m -60.03 -39.9 87.46 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.704 0.764 . . . . 0.0 109.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -79.71 -24.13 41.88 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.281 -0.887 . . . . 0.0 109.164 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.534 ' C ' ' H ' ' B' ' 46' ' ' ASP . 8.5 m-85 -69.55 -58.69 3.64 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.746 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 42' ' ' SER . 1.3 pt? -67.01 10.56 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.811 -1.181 . . . . 0.0 108.865 179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 44' ' ' PHE . 39.8 t0 -58.91 -39.3 81.11 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.473 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 11.4 m -125.8 55.49 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' B' ' 47' ' ' VAL . 27.2 mt-30 -40.06 110.84 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.048 0.928 . . . . 0.0 110.515 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -79.88 -64.51 1.17 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.73 99.35 10.45 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.086 -1.009 . . . . 0.0 108.583 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.13 57.8 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.508 -0.745 . . . . 0.0 109.949 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.97 -39.95 75.68 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.37 -52.4 47.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 109.046 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.436 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.2 t -58.17 -38.45 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.0 87.3 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.251 0.548 . . . . 0.0 109.635 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.45 -40.09 95.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.35 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.414 HD11 ' HB1' ' B' ' 80' ' ' ALA . 1.7 mp -61.77 -43.05 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.025 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmt -61.14 -28.91 69.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.013 -1.054 . . . . 0.0 109.643 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -65.17 -40.16 93.93 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 110.334 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.27 -41.11 67.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.599 -1.313 . . . . 0.0 110.394 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 15.2 mt -70.0 -26.82 64.25 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.417 -0.802 . . . . 0.0 111.145 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.64 -34.3 13.34 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.913 -1.117 . . . . 0.0 110.641 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -66.15 -37.59 86.05 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.92 56.09 1.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -57.74 -16.26 22.73 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 8.5 t0 -82.49 -8.04 59.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.503 -0.998 . . . . 0.0 110.239 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -145.6 0.07 OUTLIER Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.12 160.02 39.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -1.186 . . . . 0.0 110.312 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.722 HG21 ' HG ' ' B' ' 33' ' ' LEU . 15.3 m -135.64 151.52 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 28.8 t0 -129.13 -154.38 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.275 -0.891 . . . . 0.0 109.344 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.637 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 6.5 p90 -59.45 -47.43 85.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 0.0 111.441 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.637 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.1 tm0? -70.62 -32.23 69.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.639 -1.288 . . . . 0.0 110.321 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.9 mt-10 -83.37 -32.99 25.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.158 -0.964 . . . . 0.0 108.718 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.636 ' CE2' HD21 ' B' ' 37' ' ' LEU . 15.8 t80 -69.99 -39.2 76.05 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.983 0.896 . . . . 0.0 108.984 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.713 HG11 ' HB2' ' A' ' 79' ' ' ALA . 42.1 t -78.03 -44.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 O-C-N 121.633 -0.667 . . . . 0.0 111.543 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.601 HG13 HG13 ' A' ' 76' ' ' VAL . 72.1 t -71.33 -41.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 O-C-N 121.047 -1.033 . . . . 0.0 110.743 -177.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 5.6 tp -71.37 -39.81 70.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.38 -0.825 . . . . 0.0 110.381 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 74' ' ' PHE . 59.7 t -71.56 -39.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.344 -0.848 . . . . 0.0 109.2 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.698 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -60.67 -38.59 85.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' HB1' HD11 ' B' ' 57' ' ' ILE . . . -60.0 -40.05 87.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 122.192 0.996 . . . . 0.0 108.693 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 81' ' ' LEU . 3.0 tt -61.64 -36.19 80.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.866 -1.146 . . . . 0.0 108.134 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 86' ' ' ASN . 9.0 m -58.1 -31.14 66.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.238 -0.914 . . . . 0.0 109.099 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 72' ' ' GLN . 49.7 t -59.98 -41.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.115 -0.99 . . . . 0.0 108.79 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -71.66 -27.08 62.82 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.366 -0.833 . . . . 0.0 109.516 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.92 36.66 4.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 82' ' ' THR . 64.0 t30 . . . . . 0 C--N 1.301 -1.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.756 ' HB3' HG13 ' B' ' 14' ' ' VAL . 98.5 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.528 0.204 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' ' OE2' ' B' ' 40' ' ' GLU . 87.0 mt -71.95 -39.29 69.49 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.731 -1.231 . . . . 0.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.558 ' OE1' HD23 ' B' ' 41' ' ' LEU . 55.3 tp10 -60.02 -40.46 89.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.095 -1.003 . . . . 0.0 109.318 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.5 m -61.09 -40.0 92.05 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.06 89.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.359 -0.838 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.3 -41.33 93.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.834 -1.166 . . . . 0.0 110.563 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.46 -39.97 94.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.067 -1.021 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.7 m -65.83 -39.99 91.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 110.792 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.17 -40.05 88.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 110.575 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.051 -1.031 . . . . 0.0 110.079 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.84 -40.4 92.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.82 HG13 ' HB3' ' B' ' 3' ' ' GLU . 28.3 t -72.53 -39.43 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.473 -1.392 . . . . 0.0 111.117 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.5 m-30 -55.16 -37.0 66.43 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 20' ' ' GLY . 76.7 t60 -59.91 -30.53 69.1 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' CB ' ' OE1' ' B' ' 3' ' ' GLU . . . -58.66 -55.52 34.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.021 -1.05 . . . . 0.0 110.331 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' ND1' HD21 ' A' ' 36' ' ' LEU . 97.2 m-70 -74.68 -39.19 62.15 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.756 -1.215 . . . . 0.0 110.872 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -97.03 13.17 29.97 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.861 -1.149 . . . . 0.0 110.665 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.304 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.604 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -49.68 170.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.323 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.708 ' HB3' HG23 ' A' ' 69' ' ' VAL . 35.1 tptt -58.53 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.427 -1.309 . . . . 0.0 108.814 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.66 -177.44 0.12 Allowed 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.905 -1.122 . . . . 0.0 111.214 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -50.99 149.68 3.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.988 -1.07 . . . . 0.0 109.852 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 32.4 mtmm -62.62 -48.78 77.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.092 -1.005 . . . . 0.0 112.315 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -52.93 -47.13 68.26 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 119.706 -1.871 . . . . 0.0 111.24 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.26 -39.84 86.17 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 121.066 -1.021 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.711 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -53.63 -44.5 69.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.415 -0.803 . . . . 0.0 110.401 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 33' ' ' LEU . 2.4 ttmm -60.01 -45.45 92.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 119.832 -1.792 . . . . 0.0 109.438 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.12 -22.13 65.57 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.959 -1.088 . . . . 0.0 109.076 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD21 ' ND1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -73.62 -54.93 7.0 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.684 0.755 . . . . 0.0 111.078 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.79 HD13 HG22 ' A' ' 78' ' ' VAL . 7.2 mt -68.13 -48.7 64.69 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.036 -1.04 . . . . 0.0 112.936 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -62.74 -23.17 67.05 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-O 122.513 1.149 . . . . 0.0 108.238 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.65 -41.92 52.83 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.447 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.81 ' OE2' ' N ' ' B' ' 4' ' ' LEU . 49.1 tt0 -94.01 -1.71 54.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.636 -0.665 . . . . 0.0 109.691 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD23 ' OE1' ' B' ' 5' ' ' GLU . 68.3 mt -119.55 36.02 4.64 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.7 m -59.96 -40.13 87.98 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 111.274 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 38.5 t -62.31 -35.07 77.9 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.037 -1.039 . . . . 0.0 108.949 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.3 m-85 -60.21 -40.01 88.62 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.377 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.73 -8.8 11.43 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 43' ' ' SER . 89.6 m-20 -50.41 -30.53 12.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 109.182 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.6 p -159.67 98.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.179 -0.951 . . . . 0.0 110.284 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -70.4 112.95 7.07 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.993 -1.067 . . . . 0.0 109.865 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.8 -70.02 0.56 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.509 -0.744 . . . . 0.0 109.698 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.01 101.58 12.71 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 122.46 1.124 . . . . 0.0 110.425 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.77 -17.36 61.59 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.393 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.85 75.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.563 -0.711 . . . . 0.0 109.713 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -51.44 55.92 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.148 -0.97 . . . . 0.0 109.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -59.87 -37.06 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.629 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.94 -39.96 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.698 -0.626 . . . . 0.0 110.538 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.19 -39.76 86.42 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.956 -1.09 . . . . 0.0 109.517 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 80' ' ' ALA . 82.9 mt -59.93 -41.62 86.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 109.317 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.1 mmt -60.96 -31.96 71.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 109.107 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.2 -40.04 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.098 -1.001 . . . . 0.0 111.249 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.09 -39.56 86.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.495 -1.378 . . . . 0.0 109.631 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -59.9 -39.34 85.05 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.88 -0.512 . . . . 0.0 111.007 -178.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -86.83 -34.65 19.44 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.062 -1.024 . . . . 0.0 111.585 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -30.16 64.6 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.185 -0.947 . . . . 0.0 110.035 -178.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.511 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 45.1 t-20 -148.93 45.48 1.0 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.323 -0.861 . . . . 0.0 108.978 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.46 -30.7 12.91 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -79.67 -9.09 59.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.489 -1.006 . . . . 0.0 110.399 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . -64.29 -149.85 0.05 OUTLIER Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -158.31 159.98 36.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -1.072 . . . . 0.0 110.718 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 27' ' ' LYS . 3.3 m -130.6 151.16 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.555 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 6.5 m-20 -122.63 -158.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.426 -0.796 . . . . 0.0 109.555 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 40.9 p90 -60.13 -52.08 66.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.461 -0.774 . . . . 0.0 112.155 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.07 -30.02 67.17 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.915 -1.115 . . . . 0.0 109.318 -178.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.555 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 26.4 mt-10 -76.01 -36.81 59.0 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.739 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.737 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.446 -0.784 . . . . 0.0 109.055 179.256 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.31 -41.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.198 -0.939 . . . . 0.0 110.722 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.43 -41.35 78.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.423 HD21 ' CG2' ' A' ' 57' ' ' ILE . 7.6 tt -71.31 -39.42 71.45 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.679 -0.638 . . . . 0.0 110.188 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.79 HG22 HD13 ' A' ' 37' ' ' LEU . 94.2 t -68.95 -40.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.002 -1.061 . . . . 0.0 108.495 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.79 -39.86 90.47 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.3 tt -64.39 -36.31 83.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.249 . . . . 0.0 108.517 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' ASN . 3.3 m -58.04 -35.09 70.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 108.965 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -41.18 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.394 -0.817 . . . . 0.0 108.903 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.97 -20.97 63.28 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.615 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 54.3 m -134.01 45.72 2.6 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' THR . 12.3 p30 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.149 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.82 ' HB3' HG13 ' A' ' 14' ' ' VAL . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.727 0.299 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.81 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 89.8 mt -72.1 -39.09 69.18 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.694 -1.254 . . . . 0.0 109.903 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.563 ' OE1' HD23 ' A' ' 41' ' ' LEU . 55.3 tp10 -59.95 -40.9 90.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.87 -40.05 91.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.108 -0.995 . . . . 0.0 109.588 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.12 88.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.804 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.53 -41.29 94.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.878 -1.139 . . . . 0.0 110.468 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 110.452 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -65.61 -40.18 92.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.312 -0.868 . . . . 0.0 110.51 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.01 -40.14 88.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.005 -1.059 . . . . 0.0 110.659 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -42.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 120.894 -1.129 . . . . 0.0 110.122 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -60.83 -41.02 94.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 111.319 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.756 HG13 ' HB3' ' A' ' 3' ' ' GLU . 33.8 t -72.33 -39.36 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.639 -1.288 . . . . 0.0 111.271 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.09 -37.18 66.5 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 74.8 t60 -59.59 -30.8 68.92 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' OE1' ' A' ' 3' ' ' GLU . . . -58.5 -55.5 34.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.123 -0.986 . . . . 0.0 110.444 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.537 ' ND1' HD21 ' B' ' 36' ' ' LEU . 96.9 m-70 -75.04 -38.9 61.29 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.735 -1.228 . . . . 0.0 110.812 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m -96.82 12.56 31.68 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.935 -1.103 . . . . 0.0 110.668 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.272 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.889 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -49.67 170.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' B' ' 69' ' ' VAL . 34.7 tptt -58.4 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.408 -1.317 . . . . 0.0 108.795 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 175.03 -177.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.883 -1.136 . . . . 0.0 111.228 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -51.19 149.53 3.81 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.973 -1.08 . . . . 0.0 109.948 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 31.7 mtmm -62.23 -49.11 77.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.091 -1.006 . . . . 0.0 112.306 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -52.68 -46.91 67.44 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 119.736 -1.853 . . . . 0.0 111.268 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.98 -39.04 83.38 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.06 -1.025 . . . . 0.0 109.341 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.711 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.4 tm? -54.23 -44.27 71.56 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.443 -0.786 . . . . 0.0 110.339 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.463 ' N ' HD13 ' B' ' 33' ' ' LEU . 2.3 ttmm -60.03 -45.66 92.07 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.0 -1.688 . . . . 0.0 109.414 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.15 -22.13 65.62 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.951 -1.093 . . . . 0.0 108.957 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.537 HD21 ' ND1' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -73.43 -54.71 7.63 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.654 0.74 . . . . 0.0 111.218 -178.784 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.78 HD13 HG22 ' B' ' 78' ' ' VAL . 7.5 mt -68.43 -48.74 63.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.052 -1.03 . . . . 0.0 112.785 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -62.7 -23.11 66.98 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.526 1.155 . . . . 0.0 108.23 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.76 -41.49 52.97 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.509 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.793 ' OE2' ' N ' ' A' ' 4' ' ' LEU . 46.2 tt0 -93.88 -2.52 53.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.547 -0.721 . . . . 0.0 109.606 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.558 HD23 ' OE1' ' A' ' 5' ' ' GLU . 69.6 mt -119.22 36.43 4.47 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -60.08 -39.98 87.99 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.446 -0.784 . . . . 0.0 111.223 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 47.0 t -62.99 -34.45 77.58 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 108.951 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.441 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.1 m-85 -60.69 -39.98 90.49 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.17 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -9.31 11.05 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' B' ' 43' ' ' SER . 89.5 m-20 -50.09 -30.37 10.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.001 -1.062 . . . . 0.0 109.33 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.615 HG13 ' O ' ' B' ' 47' ' ' VAL . 7.3 p -159.96 98.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.09 -1.006 . . . . 0.0 110.356 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -70.38 113.01 7.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.064 -1.023 . . . . 0.0 109.799 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.646 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.2 mmmp? -81.01 -69.97 0.57 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.52 -0.738 . . . . 0.0 109.623 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -100.03 101.66 12.79 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.55 1.167 . . . . 0.0 110.4 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -17.56 61.55 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.507 -0.745 . . . . 0.0 109.312 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.93 -40.04 75.75 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.568 -0.708 . . . . 0.0 109.676 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -51.3 57.62 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.188 -0.945 . . . . 0.0 109.202 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.0 OUTLIER -60.03 -36.97 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.694 -0.629 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.44 -39.42 85.39 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.975 -1.078 . . . . 0.0 109.416 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.497 HD11 ' CB ' ' B' ' 80' ' ' ALA . 83.0 mt -59.95 -41.78 87.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.601 -0.687 . . . . 0.0 109.481 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.2 mmt -61.01 -32.05 71.65 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.059 -1.026 . . . . 0.0 109.135 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.199 -0.938 . . . . 0.0 111.282 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.12 -39.64 86.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.57 -1.331 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' B' ' 30' ' ' LYS . 0.8 OUTLIER -59.96 -39.27 85.04 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.82 -0.55 . . . . 0.0 111.071 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.98 -34.54 19.24 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.053 . . . . 0.0 111.531 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -30.3 64.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.19 -0.944 . . . . 0.0 110.035 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.481 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 45.5 t-20 -148.76 45.5 1.02 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 108.915 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -30.4 13.19 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -79.84 -9.01 59.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.496 -1.002 . . . . 0.0 110.414 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . -64.41 -149.53 0.05 OUTLIER Glycine 0 N--CA 1.481 1.696 0 N-CA-C 109.139 -1.585 . . . . 0.0 109.139 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -158.41 160.02 36.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.401 -1.058 . . . . 0.0 110.711 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.683 HG23 ' HB3' ' B' ' 27' ' ' LYS . 2.9 m -130.44 151.36 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 7.9 m-20 -122.82 -158.41 0.79 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.522 -0.736 . . . . 0.0 109.643 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 40.4 p90 -60.46 -51.99 67.11 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.415 -0.803 . . . . 0.0 112.11 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -69.97 -30.03 67.29 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.026 -1.046 . . . . 0.0 109.36 -179.097 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.557 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 24.7 mt-10 -76.62 -36.55 57.38 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.399 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.74 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.7 OUTLIER -69.97 -34.56 73.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.41 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.6 t -74.2 -41.39 51.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.166 -0.959 . . . . 0.0 110.62 -178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.8 t -70.39 -41.64 78.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.161 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.443 HD21 ' CG2' ' B' ' 57' ' ' ILE . 7.5 tt -71.04 -39.45 72.27 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.734 -0.604 . . . . 0.0 110.305 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.78 HG22 HD13 ' B' ' 37' ' ' LEU . 92.9 t -69.03 -39.9 80.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.584 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.82 90.76 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.497 ' CB ' HD11 ' B' ' 57' ' ' ILE . . . -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.4 tt -64.63 -36.88 85.68 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.705 -1.247 . . . . 0.0 108.49 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.45 ' O ' ' N ' ' B' ' 86' ' ' ASN . 3.1 m -57.5 -35.05 69.72 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 109.114 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.1 -41.25 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.339 -0.851 . . . . 0.0 108.712 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.96 -21.06 63.29 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.606 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 52.3 m -133.8 45.68 2.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 82' ' ' THR . 12.1 p30 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.11 -0.994 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 120.618 0.246 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' B' ' 14' ' ' VAL . 64.6 mt -77.03 -40.82 45.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.534 -1.354 . . . . 0.0 110.526 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.507 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 88.7 tt0 -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.948 -1.095 . . . . 0.0 110.039 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -40.02 88.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.234 -0.916 . . . . 0.0 110.406 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.557 ' CB ' HD21 ' B' ' 11' ' ' LEU . . . -68.38 -40.31 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.347 -0.845 . . . . 0.0 111.263 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 tpt -61.01 -41.35 96.38 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.939 -1.1 . . . . 0.0 110.522 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.24 -40.02 96.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.091 -1.006 . . . . 0.0 109.955 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.5 m -63.43 -40.08 96.19 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.369 -0.832 . . . . 0.0 110.281 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD21 ' CB ' ' B' ' 7' ' ' ALA . 94.3 mt -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.06 -1.025 . . . . 0.0 110.742 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.19 -43.94 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.04 -40.31 88.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.313 -0.867 . . . . 0.0 110.898 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' B' ' 4' ' ' LEU . 61.0 t -66.5 -39.4 83.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 120.707 -1.246 . . . . 0.0 110.418 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 5.4 m-30 -50.84 -38.37 48.58 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.732 -1.23 . . . . 0.0 107.699 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 74.2 t60 -60.01 -35.68 75.59 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.73 -58.58 7.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.091 . . . . 0.0 110.549 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.56 -40.05 64.23 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.545 -1.347 . . . . 0.0 110.756 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 51.0 m -84.56 -6.56 59.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.017 -1.052 . . . . 0.0 111.205 -178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' TYR . 4.4 mptp? . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.0 m-85 -48.74 170.3 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HB3' HG23 ' A' ' 69' ' ' VAL . 47.5 tptt -50.55 -94.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.229 -1.389 . . . . 0.0 109.493 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' O ' HG22 ' A' ' 69' ' ' VAL . 1.4 pp 179.39 -178.8 0.38 Allowed 'General case' 0 N--CA 1.514 2.756 0 O-C-N 120.64 -1.287 . . . . 0.0 111.956 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -43.91 155.1 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.32 -0.862 . . . . 0.0 111.847 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.763 ' O ' HD23 ' A' ' 61' ' ' LEU . 2.3 mmmm -66.72 -54.1 26.55 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.26 -43.96 95.71 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 119.59 -1.944 . . . . 0.0 111.975 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -69.8 -31.57 69.56 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.738 -1.227 . . . . 0.0 108.757 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -59.97 -44.1 94.67 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.948 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.979 ' NZ ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -65.28 -55.54 17.78 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.75 -1.219 . . . . 0.0 111.734 -178.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.83 -27.63 52.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.34 -1.475 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -52.82 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 111.831 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.728 HD23 HG22 ' A' ' 78' ' ' VAL . 6.0 mp -69.21 -45.36 70.06 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.615 -1.303 . . . . 0.0 112.693 -176.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.83 -26.69 67.51 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.542 -1.348 . . . . 0.0 107.618 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.01 -39.97 54.61 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.075 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 81.0 tt0 -79.3 -5.83 55.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.7 49.77 1.01 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -54.14 -37.84 64.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 0.0 110.091 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 36.0 t -56.88 -17.93 11.25 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CD2' ' SG ' ' A' ' 85' ' ' CYS . 30.7 t80 -60.05 -40.05 88.11 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.95 -14.13 62.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.563 ' O ' HG13 ' A' ' 47' ' ' VAL . 9.3 t70 -59.97 -45.89 91.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.408 -0.807 . . . . 0.0 109.891 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 46' ' ' ASP . 2.1 m -158.38 97.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.963 -1.086 . . . . 0.0 110.93 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 8.4 mp0 -70.07 119.86 14.91 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.686 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.3 mmmm -91.44 -79.92 0.36 Allowed 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.9 -0.5 . . . . 0.0 110.524 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.56 98.95 9.2 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.907 -1.12 . . . . 0.0 109.887 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.8 -18.87 61.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.461 -0.774 . . . . 0.0 110.021 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -39.97 75.35 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.607 -0.683 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -50.77 65.43 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -59.56 -38.23 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.057 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -58.87 -39.99 83.02 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.139 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.4 -39.98 89.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.884 -1.135 . . . . 0.0 109.98 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.727 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.3 mp -60.03 -43.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 120.934 -1.104 . . . . 0.0 108.574 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mpt? -58.89 -24.7 62.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.624 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 10.0 mtpm? -66.69 -39.97 88.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.706 -1.246 . . . . 0.0 110.347 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 64' ' ' ASN . 96.4 mt-10 -67.3 -39.9 85.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.523 -1.36 . . . . 0.0 111.992 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.979 HD13 ' NZ ' ' A' ' 34' ' ' LYS . 3.0 mp -75.0 -33.12 61.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.469 -1.395 . . . . 0.0 109.934 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.0 -38.01 75.87 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.601 -1.312 . . . . 0.0 108.405 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 11.5 mm-40 -61.23 -39.99 92.35 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.655 0.741 . . . . 0.0 109.434 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 51.6 p30 -148.25 61.56 1.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -50.0 -29.99 15.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.046 -1.621 . . . . 0.0 109.046 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -79.94 2.11 24.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.738 -0.86 . . . . 0.0 109.688 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.94 -149.41 0.27 Allowed Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -160.21 160.41 32.73 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.165 -1.197 . . . . 0.0 110.926 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.701 HG21 ' HG ' ' A' ' 33' ' ' LEU . 7.0 m -129.26 155.25 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 10.9 m-20 -128.12 -160.0 0.99 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.221 -0.925 . . . . 0.0 109.605 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.72 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 43.0 p90 -60.04 -51.48 69.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.603 -0.686 . . . . 0.0 111.514 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.72 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.34 -27.76 64.61 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.733 -1.23 . . . . 0.0 109.574 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 39.7 tt0 -81.92 -34.69 29.78 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.352 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.5 t80 -69.93 -38.87 76.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.975 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.25 -43.41 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.229 -0.92 . . . . 0.0 110.848 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 HG13 ' B' ' 76' ' ' VAL . 57.2 t -68.62 -40.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.421 -0.799 . . . . 0.0 109.988 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.4 tp -69.58 -40.04 76.98 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.38 -0.825 . . . . 0.0 109.167 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 74' ' ' PHE . 75.9 t -61.71 -42.25 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.558 -0.714 . . . . 0.0 109.73 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' B' ' 72' ' ' GLN . . . -64.23 -34.77 78.87 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.727 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -60.02 -40.36 89.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.492 0.663 . . . . 0.0 109.475 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.22 -39.96 86.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.524 -1.36 . . . . 0.0 107.871 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.593 ' O ' ' N ' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -54.87 -31.17 59.46 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.0 -41.52 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.686 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.55 -20.97 61.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.152 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.621 ' SG ' ' CD2' ' A' ' 44' ' ' PHE . 1.5 m -130.04 30.96 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.719 ' OD1' ' CZ ' ' B' ' 71' ' ' PHE . 29.3 t30 . . . . . 0 N--CA 1.499 1.985 0 O-C-N 121.098 -1.001 . . . . 0.0 109.88 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 3' ' ' GLU . 57.8 mp0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.638 0.256 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 63.7 mt -76.66 -41.0 47.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.603 -1.311 . . . . 0.0 110.647 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.495 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 88.6 tt0 -62.02 -41.7 98.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.972 -1.08 . . . . 0.0 110.075 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -60.16 -39.97 88.25 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.266 -0.897 . . . . 0.0 110.41 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.573 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -68.54 -39.99 80.89 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 0.0 111.3 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.21 -41.62 97.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.954 -1.092 . . . . 0.0 110.427 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.96 -39.92 96.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.211 -0.93 . . . . 0.0 110.082 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -63.56 -39.98 95.81 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -0.867 . . . . 0.0 110.355 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 11' ' ' LEU . 93.8 mt -59.93 -40.1 87.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.94 -1.1 . . . . 0.0 110.749 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.31 -43.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.732 -1.23 . . . . 0.0 109.819 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.01 -40.47 89.36 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.346 -0.846 . . . . 0.0 110.891 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 4' ' ' LEU . 56.7 t -66.61 -39.42 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.697 -1.252 . . . . 0.0 110.33 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 5.4 m-30 -50.71 -38.24 46.13 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 107.735 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 20' ' ' GLY . 73.3 t60 -60.09 -35.53 75.41 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -58.79 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.954 -1.091 . . . . 0.0 110.4 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.66 -39.87 64.13 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.521 -1.362 . . . . 0.0 110.711 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 49.5 m -84.38 -6.84 59.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.071 -1.018 . . . . 0.0 111.229 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 26' ' ' TYR . 4.4 mptp? . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.502 ' O ' ' O ' ' B' ' 27' ' ' LYS . 59.7 m-85 -48.72 170.38 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.703 ' HB3' HG23 ' B' ' 69' ' ' VAL . 45.4 tptt -50.86 -94.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.431 -1.418 . . . . 0.0 109.329 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.678 ' O ' HG22 ' B' ' 69' ' ' VAL . 1.3 pp 179.48 -178.76 0.38 Allowed 'General case' 0 N--CA 1.513 2.711 0 O-C-N 120.686 -1.259 . . . . 0.0 112.06 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -44.0 155.2 0.09 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.29 -0.881 . . . . 0.0 111.912 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.745 ' O ' HD23 ' B' ' 61' ' ' LEU . 2.1 mmmm -66.85 -54.15 25.27 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -60.05 -44.15 94.89 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 119.536 -1.978 . . . . 0.0 111.942 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -69.65 -31.53 69.66 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.75 -1.219 . . . . 0.0 108.782 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.726 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.9 tm? -59.94 -44.12 94.57 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.076 -1.015 . . . . 0.0 108.992 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 1.103 ' HZ1' HD13 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -65.46 -55.32 18.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.784 -1.197 . . . . 0.0 111.836 -178.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.66 -27.93 52.63 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 120.43 -1.419 . . . . 0.0 110.204 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -74.4 -52.94 10.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.51 -0.743 . . . . 0.0 111.917 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.714 HD23 HG22 ' B' ' 78' ' ' VAL . 6.1 mp -69.16 -45.28 70.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.624 -1.298 . . . . 0.0 112.728 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.0 -26.47 67.62 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.505 -1.372 . . . . 0.0 107.61 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.2 -40.02 53.29 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 80.9 tt0 -79.22 -5.92 55.43 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -114.34 49.46 1.01 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.0 m -53.96 -38.26 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.455 -0.778 . . . . 0.0 110.025 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 36.6 t -56.57 -17.92 10.14 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.617 ' CD2' ' SG ' ' B' ' 85' ' ' CYS . 30.0 t80 -59.95 -40.07 87.73 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.32 -13.84 62.56 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 47' ' ' VAL . 9.3 t70 -60.02 -46.28 90.0 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.424 -0.797 . . . . 0.0 109.9 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.507 HG13 ' O ' ' B' ' 46' ' ' ASP . 1.8 m -157.49 97.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.022 -1.049 . . . . 0.0 110.895 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.464 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 8.5 mp0 -70.09 119.78 14.8 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.233 -0.917 . . . . 0.0 108.937 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.684 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -91.62 -80.01 0.36 Allowed 'General case' 0 C--N 1.288 -2.067 0 O-C-N 121.774 -0.579 . . . . 0.0 110.495 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -101.33 98.93 9.24 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.895 -1.128 . . . . 0.0 109.954 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -18.91 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.012 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 -39.94 75.47 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.613 -0.679 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.01 64.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -0.833 . . . . 0.0 109.282 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -59.41 -37.93 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.06 -40.04 83.93 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.098 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -66.52 -40.01 88.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.707 HD11 ' HB1' ' B' ' 80' ' ' ALA . 1.4 mp -59.95 -43.27 91.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.009 -1.057 . . . . 0.0 108.482 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 1.2 mpt? -58.72 -24.57 61.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.428 -0.795 . . . . 0.0 109.648 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' B' ' 63' ' ' GLU . 9.9 mtpm? -67.05 -39.6 86.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.702 -1.248 . . . . 0.0 110.374 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 64' ' ' ASN . 96.2 mt-10 -67.64 -39.94 84.59 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.564 -1.335 . . . . 0.0 111.81 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 1.103 HD13 ' HZ1' ' B' ' 34' ' ' LYS . 3.0 mp -74.79 -33.26 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.416 . . . . 0.0 109.828 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -37.89 75.78 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.474 -1.391 . . . . 0.0 108.421 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 59' ' ' LYS . 11.7 mm-40 -61.44 -39.99 92.83 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.588 0.708 . . . . 0.0 109.357 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 60' ' ' GLU . 50.9 p30 -148.12 61.62 1.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.88 -29.89 14.44 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -80.03 1.9 25.84 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.585 -0.95 . . . . 0.0 109.837 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -149.48 0.26 Allowed Glycine 0 N--CA 1.484 1.876 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -160.07 160.41 33.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.229 -1.159 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' B' ' 27' ' ' LYS . 7.3 m -129.11 155.39 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.51 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.7 m-20 -128.51 -159.99 0.99 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.198 -0.939 . . . . 0.0 109.501 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.719 ' CZ ' ' OD1' ' A' ' 86' ' ' ASN . 42.8 p90 -59.95 -51.42 69.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 0.0 111.487 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.713 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.64 -27.51 64.11 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.738 -1.226 . . . . 0.0 109.548 -178.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.51 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 37.5 tt0 -82.09 -34.56 29.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.129 -1.029 . . . . 0.0 108.358 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.754 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.4 t80 -69.99 -38.83 76.12 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.167 -0.958 . . . . 0.0 108.949 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 79' ' ' ALA . 55.9 t -74.81 -44.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.3 -0.875 . . . . 0.0 111.021 -178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.64 HG13 HG13 ' A' ' 76' ' ' VAL . 53.7 t -68.5 -39.92 81.34 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.523 -0.735 . . . . 0.0 110.138 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 3.5 tp -69.66 -40.0 76.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.385 -0.822 . . . . 0.0 109.098 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.754 HG23 ' O ' ' B' ' 74' ' ' PHE . 75.1 t -61.4 -42.48 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 109.643 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 72' ' ' GLN . . . -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' B' ' 57' ' ' ILE . . . -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.514 0.674 . . . . 0.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.18 -40.01 86.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.463 -1.398 . . . . 0.0 107.93 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.587 ' O ' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -54.56 -31.1 56.0 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -41.58 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.684 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.39 -20.81 61.38 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.237 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' B' ' 44' ' ' PHE . 1.4 m -130.28 30.65 4.73 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.697 ' OD1' ' CZ ' ' A' ' 71' ' ' PHE . 28.8 t30 . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.11 -0.993 . . . . 0.0 110.008 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.5 mp0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.287 0.565 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HG ' HG11 ' B' ' 14' ' ' VAL . 31.4 mt -70.06 -41.6 73.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.904 . . . . 0.0 111.15 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.69 -41.1 98.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.813 -1.179 . . . . 0.0 109.873 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.88 -39.94 96.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 110.982 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.06 -46.93 87.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.966 -1.084 . . . . 0.0 110.293 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.98 -35.93 76.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.283 -0.886 . . . . 0.0 110.162 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.518 -1.364 . . . . 0.0 108.084 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -62.58 -39.98 95.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 7' ' ' ALA . 9.6 mp -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.651 -0.656 . . . . 0.0 110.035 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.37 -40.23 87.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.745 -1.222 . . . . 0.0 110.309 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.88 -40.13 91.31 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.032 -1.042 . . . . 0.0 111.624 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.607 HG11 ' HG ' ' B' ' 4' ' ' LEU . 21.5 t -69.92 -38.28 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.81 -1.181 . . . . 0.0 110.138 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.49 -39.99 68.07 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -65.39 -23.45 66.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.632 -0.668 . . . . 0.0 109.248 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -58.93 -55.21 38.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.952 -1.092 . . . . 0.0 109.879 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -74.18 -40.08 62.77 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.719 -1.238 . . . . 0.0 110.471 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m -82.83 -7.51 59.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.072 -1.018 . . . . 0.0 110.157 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.41 0 O-C-N 121.182 -0.949 . . . . 0.0 111.462 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' LYS . 62.3 m-85 -49.7 168.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 108.446 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HB3' HG23 ' A' ' 69' ' ' VAL . 17.0 tptp -51.6 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.739 -1.226 . . . . 0.0 109.64 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -179.33 -176.81 0.42 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.596 -1.315 . . . . 0.0 110.811 179.767 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -52.13 148.9 5.73 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 110.866 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG2' HG13 ' A' ' 69' ' ' VAL . 17.8 mtpp -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.629 -0.67 . . . . 0.0 111.338 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.56 -52.45 61.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.593 -1.317 . . . . 0.0 111.031 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -39.96 94.62 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.055 . . . . 0.0 108.574 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.741 HD13 ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.37 -45.05 55.03 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.382 -0.824 . . . . 0.0 109.463 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.57 ' N ' HD13 ' A' ' 33' ' ' LEU . 2.8 tmtt? -60.02 -49.02 79.3 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.328 -1.482 . . . . 0.0 110.718 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.12 -28.6 66.69 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.55 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.8 tp -70.53 -54.87 10.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 111.153 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD13 HG22 ' A' ' 78' ' ' VAL . 4.4 mt -59.98 -51.14 70.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.648 -1.283 . . . . 0.0 110.342 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -58.72 -20.76 51.81 Favored 'General case' 0 C--N 1.277 -2.556 0 O-C-N 120.88 -1.137 . . . . 0.0 109.777 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.46 -31.98 32.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.209 -0.932 . . . . 0.0 109.828 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -87.84 -39.08 15.13 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.335 -0.853 . . . . 0.0 108.774 179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.4 mm? -90.4 33.62 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.04 -40.08 88.15 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.246 -0.909 . . . . 0.0 110.695 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 32.4 t -64.2 -29.88 70.97 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.013 -1.054 . . . . 0.0 108.93 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 33.3 m-85 -60.01 -41.52 92.32 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 117.606 -1.638 . . . . 0.0 107.713 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.9 mp -58.74 -2.33 0.22 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.978 -1.076 . . . . 0.0 108.779 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 44' ' ' PHE . 84.6 m-20 -59.95 -39.96 87.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.91 -1.119 . . . . 0.0 108.966 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.194 -0.941 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -62.91 123.47 18.58 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.148 0.975 . . . . 0.0 109.573 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -104.67 -47.73 3.98 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.704 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -97.07 86.55 3.99 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.182 -0.949 . . . . 0.0 109.526 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.51 -18.97 58.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.51 -39.94 73.82 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.7 -0.625 . . . . 0.0 109.419 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -50.84 58.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.257 -0.902 . . . . 0.0 108.93 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' CG2' ' HB2' ' A' ' 84' ' ' ALA . 72.3 t -59.44 -39.38 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.407 -0.808 . . . . 0.0 108.934 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.01 -39.96 87.59 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.249 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.17 -39.99 93.67 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.854 0.835 . . . . 0.0 109.026 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.65 ' O ' HD12 ' A' ' 61' ' ' LEU . 83.1 mt -60.06 -50.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.803 -0.56 . . . . 0.0 110.373 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -23.91 57.74 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.553 -0.717 . . . . 0.0 110.198 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.03 -39.98 83.01 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.327 -0.858 . . . . 0.0 109.675 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.21 -48.46 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.075 -1.015 . . . . 0.0 111.339 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -73.45 -23.63 60.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.034 -1.041 . . . . 0.0 109.664 -179.163 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.42 -33.31 60.94 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.168 -0.958 . . . . 0.0 108.7 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.7 -40.0 90.6 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.742 0.782 . . . . 0.0 108.931 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 66' ' ' ASP . 37.6 p-10 -159.7 64.07 0.37 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -46.3 -16.18 0.16 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ASN . 95.5 m-20 -86.62 0.02 55.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.458 -1.024 . . . . 0.0 109.668 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -63.34 -145.23 0.02 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -155.72 154.26 31.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.7 HG21 ' HG ' ' A' ' 33' ' ' LEU . 6.4 m -134.98 154.21 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.24 0.95 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.215 -0.928 . . . . 0.0 109.939 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.2 p90 -60.03 -48.42 81.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.707 -0.621 . . . . 0.0 111.668 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.706 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -71.72 -29.15 64.23 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 120.379 -1.451 . . . . 0.0 109.279 -178.675 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' HG2' HG12 ' A' ' 69' ' ' VAL . 29.2 tp10 -82.17 -36.34 27.46 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.8 t80 -69.98 -38.95 76.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.805 . . . . 0.0 109.269 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.41 -41.34 56.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 121.352 -0.842 . . . . 0.0 110.584 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.5 t -69.97 -40.2 78.36 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 121.563 -0.711 . . . . 0.0 111.129 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.84 -35.82 64.85 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.364 -0.835 . . . . 0.0 109.785 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 74' ' ' PHE . 77.0 t -70.05 -40.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.325 -0.859 . . . . 0.0 108.889 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.03 85.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 64.5 tp -62.38 -39.99 94.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.08 -1.012 . . . . 0.0 109.005 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.484 HG23 ' CE2' ' A' ' 44' ' ' PHE . 7.2 m -54.01 -37.52 64.13 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.106 -0.997 . . . . 0.0 108.469 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.72 -27.44 37.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -59.97 -39.93 87.34 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.941 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -143.71 65.17 1.32 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.939 -1.101 . . . . 0.0 108.97 -177.428 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 N--CA 1.497 1.92 0 O-C-N 121.267 -0.895 . . . . 0.0 109.02 179.407 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 3' ' ' GLU . 57.9 mp0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.32 0.581 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.607 ' HG ' HG11 ' A' ' 14' ' ' VAL . 32.3 mt -70.01 -41.58 74.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.201 -0.937 . . . . 0.0 111.082 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.63 -41.09 98.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.87 -1.144 . . . . 0.0 109.917 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -62.98 -40.01 96.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.805 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.414 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.03 -46.89 88.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.028 -1.045 . . . . 0.0 110.381 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.95 -36.07 76.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.34 -0.85 . . . . 0.0 110.227 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.697 -1.252 . . . . 0.0 108.003 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.56 -39.98 95.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 7' ' ' ALA . 9.7 mp -59.72 -40.07 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.531 -0.731 . . . . 0.0 110.04 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.18 -40.34 87.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.784 -1.198 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -65.72 -40.25 92.03 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 0.0 111.553 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.628 HG11 ' HG ' ' A' ' 4' ' ' LEU . 21.2 t -69.98 -38.09 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.728 -1.232 . . . . 0.0 110.266 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.59 -40.0 68.38 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.8 t-80 -65.41 -23.42 66.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -58.91 -55.36 36.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.984 -1.073 . . . . 0.0 109.947 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.99 -40.22 63.11 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.814 -1.178 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 64.0 m -82.75 -7.58 59.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.196 -0.94 . . . . 0.0 110.251 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.305 0 O-C-N 121.279 -0.888 . . . . 0.0 111.484 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 62.1 m-85 -49.56 168.54 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.662 ' HB3' HG23 ' B' ' 69' ' ' VAL . 17.1 tptp -51.73 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.709 -1.244 . . . . 0.0 109.567 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -179.29 -176.84 0.42 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.536 -1.352 . . . . 0.0 110.867 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -51.97 149.07 5.3 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.872 -1.143 . . . . 0.0 110.802 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.443 ' HG2' HG13 ' B' ' 69' ' ' VAL . 17.6 mtpp -60.2 -40.01 88.55 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.577 -0.702 . . . . 0.0 111.384 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -63.46 -52.37 61.71 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.656 -1.278 . . . . 0.0 111.042 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -40.0 94.69 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.993 -1.067 . . . . 0.0 108.498 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.741 ' C ' HD13 ' B' ' 33' ' ' LEU . 0.8 OUTLIER -50.22 -45.1 53.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.561 ' N ' HD13 ' B' ' 33' ' ' LEU . 3.0 tmtt? -60.0 -49.31 78.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.313 -1.492 . . . . 0.0 110.687 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.89 -28.72 66.42 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 118.306 -1.357 . . . . 0.0 109.648 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.53 -54.8 10.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.111 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.518 HD13 HG22 ' B' ' 78' ' ' VAL . 4.6 mt -60.0 -51.06 71.26 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.698 -1.251 . . . . 0.0 110.284 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -58.7 -20.83 52.1 Favored 'General case' 0 C--N 1.278 -2.502 0 O-C-N 120.895 -1.128 . . . . 0.0 109.841 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.38 -32.1 33.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 109.826 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -38.59 15.44 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.329 -0.857 . . . . 0.0 108.806 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.426 HD22 ' O ' ' B' ' 37' ' ' LEU . 1.4 mm? -90.61 33.57 0.91 Allowed 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.03 -40.28 88.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.329 -0.857 . . . . 0.0 110.656 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 31.1 t -64.02 -29.99 71.1 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.006 -1.059 . . . . 0.0 109.085 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.532 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 33.3 m-85 -59.98 -41.3 91.71 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.488 -1.685 . . . . 0.0 107.671 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 45' ' ' LEU . 10.9 mp -58.85 -2.24 0.22 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.008 -1.058 . . . . 0.0 108.866 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' B' ' 44' ' ' PHE . 84.9 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.001 -1.062 . . . . 0.0 108.926 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.141 -0.974 . . . . 0.0 109.728 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -63.19 123.46 18.69 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 122.128 0.966 . . . . 0.0 109.523 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -104.5 -47.92 3.96 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.685 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.0 86.47 3.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.21 -0.931 . . . . 0.0 109.576 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.41 -18.96 58.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.331 -0.856 . . . . 0.0 108.914 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.55 -40.05 73.61 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.699 -0.626 . . . . 0.0 109.314 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.17 -51.01 58.94 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.264 -0.897 . . . . 0.0 108.862 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' B' ' 84' ' ' ALA . 72.1 t -59.42 -39.33 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 119.743 -0.783 . . . . 0.0 108.896 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.99 -40.08 87.92 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.488 -0.757 . . . . 0.0 110.197 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -40.04 93.8 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.326 -0.858 . . . . 0.0 109.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.648 ' O ' HD12 ' B' ' 61' ' ' LEU . 82.6 mt -59.97 -50.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.725 -0.609 . . . . 0.0 110.513 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -23.77 58.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.08 -40.01 82.76 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.32 -0.863 . . . . 0.0 109.625 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.26 -48.34 76.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.156 -0.965 . . . . 0.0 111.302 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.648 HD12 ' O ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER -73.56 -23.83 60.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.026 -1.047 . . . . 0.0 109.616 -179.157 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.18 -33.55 61.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 0.0 108.785 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.769 0.795 . . . . 0.0 108.959 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' B' ' 66' ' ' ASP . 37.5 p-10 -159.72 64.17 0.37 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -46.24 -16.23 0.16 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.0 m-20 -86.84 0.09 55.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.465 -1.021 . . . . 0.0 109.648 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -63.34 -145.22 0.02 OUTLIER Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -155.72 154.33 31.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.323 -1.104 . . . . 0.0 110.085 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.701 HG21 ' HG ' ' B' ' 33' ' ' LEU . 6.5 m -134.99 154.11 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.23 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.146 -0.972 . . . . 0.0 109.919 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.7 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.1 p90 -60.02 -48.68 80.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.688 -0.633 . . . . 0.0 111.661 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.7 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -71.34 -29.31 64.84 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.273 -1.517 . . . . 0.0 109.443 -178.771 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.504 ' HG2' HG12 ' B' ' 69' ' ' VAL . 28.5 tp10 -82.05 -36.01 28.13 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.393 -0.817 . . . . 0.0 108.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 78' ' ' VAL . 7.4 t80 -69.99 -39.28 76.02 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.778 0.799 . . . . 0.0 109.218 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.19 -41.5 58.39 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 O-C-N 121.401 -0.812 . . . . 0.0 110.487 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.9 t -70.02 -40.08 78.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.68 -0.637 . . . . 0.0 111.088 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.77 -36.07 65.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.406 -0.809 . . . . 0.0 109.795 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 74' ' ' PHE . 76.6 t -69.88 -40.05 78.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 108.971 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.93 85.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.541 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 62.5 tp -62.52 -40.03 95.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 108.935 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.505 HG23 ' CE2' ' B' ' 44' ' ' PHE . 6.9 m -53.91 -37.49 63.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.968 -1.083 . . . . 0.0 108.527 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.541 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -59.78 -27.43 38.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.015 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.021 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -143.75 65.05 1.32 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.021 -1.049 . . . . 0.0 108.93 -177.382 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 32.0 m120 . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.346 -0.846 . . . . 0.0 108.961 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.652 ' HB3' HG22 ' B' ' 14' ' ' VAL . 43.4 mt-10 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.877 ' CD1' ' CG1' ' B' ' 14' ' ' VAL . 6.2 mp -69.95 -41.54 74.42 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.994 -1.066 . . . . 0.0 110.82 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.66 -45.04 95.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.817 -1.177 . . . . 0.0 109.741 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.9 m -60.27 -39.9 88.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.568 -0.708 . . . . 0.0 109.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.19 88.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 110.461 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -42.82 95.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.938 -1.101 . . . . 0.0 110.361 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.9 -40.21 96.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.409 -0.807 . . . . 0.0 110.519 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 91.8 mt -59.65 -40.03 86.34 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.092 -1.005 . . . . 0.0 110.165 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.42 -46.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.94 -1.1 . . . . 0.0 110.807 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.023 -1.048 . . . . 0.0 110.284 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.833 ' CG1' ' CD1' ' B' ' 4' ' ' LEU . 75.4 t -64.07 -39.77 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.174 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 6.4 m-30 -57.12 -39.88 75.99 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.0 t60 -56.7 -29.31 62.27 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.42 69.74 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.011 -1.056 . . . . 0.0 110.167 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -78.71 -40.44 33.7 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.451 -1.405 . . . . 0.0 110.736 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 22.3 m -100.88 17.47 22.08 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.059 -1.026 . . . . 0.0 111.085 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.484 1.842 0 C-N-CA 118.673 -1.727 . . . . 0.0 109.537 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 N--CA 1.499 2.001 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.455 ' O ' ' OG ' ' A' ' 19' ' ' SER . 75.2 m-85 -49.99 171.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HB3' HG23 ' A' ' 69' ' ' VAL . 28.2 tptp -56.89 -80.97 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.092 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -171.77 161.01 5.82 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.075 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -50.09 148.3 3.47 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 45.4 mttm -53.29 -49.17 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.501 -1.374 . . . . 0.0 110.351 -178.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.38 -44.09 75.75 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.674 -1.266 . . . . 0.0 111.442 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -70.81 -40.1 72.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.817 -1.177 . . . . 0.0 109.71 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.2 tm? -54.51 -47.8 72.65 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.928 -0.483 . . . . 0.0 111.192 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG2' ' HZ2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.941 -1.724 . . . . 0.0 110.845 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.66 -27.63 67.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.619 -1.301 . . . . 0.0 109.51 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -59.91 2.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.639 -0.663 . . . . 0.0 111.41 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 37' ' ' LEU . 10.9 mp -78.0 -39.81 41.02 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.571 -1.331 . . . . 0.0 113.075 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -54.52 -32.43 58.1 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.359 -1.463 . . . . 0.0 108.075 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -74.43 -39.86 62.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -35.91 75.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.12 31.58 1.88 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.909 -1.12 . . . . 0.0 110.475 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 67.6 m -61.45 -32.89 72.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 108.911 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 46' ' ' ASP . 33.3 m-85 -59.84 -39.63 85.82 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.061 -1.456 . . . . 0.0 107.272 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 mt -57.39 -5.43 0.32 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' PHE . 65.0 m-20 -50.31 -34.91 25.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.02 -1.05 . . . . 0.0 108.893 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.1 p -140.02 100.58 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.244 -0.91 . . . . 0.0 110.451 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 10.2 pt20 -70.01 114.96 8.68 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.666 -1.272 . . . . 0.0 108.967 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 84' ' ' ALA . 35.9 mmtm -90.02 -79.76 0.33 Allowed 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.646 -0.659 . . . . 0.0 109.546 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -99.86 101.6 12.78 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 122.095 0.95 . . . . 0.0 110.14 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.05 -17.95 61.98 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -71.03 -39.99 71.98 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.691 -0.63 . . . . 0.0 109.32 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.4 -50.99 63.39 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.281 -0.887 . . . . 0.0 109.352 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.638 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -60.02 -36.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.797 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -60.22 -39.82 87.99 Favored 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.476 -0.765 . . . . 0.0 110.09 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.88 -40.0 83.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.901 -1.124 . . . . 0.0 109.076 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.499 HD11 ' CB ' ' A' ' 80' ' ' ALA . 96.7 mt -60.01 -40.08 82.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 109.554 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.55 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.53 -29.04 68.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.395 -0.815 . . . . 0.0 109.615 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.67 -39.48 88.54 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.979 -1.076 . . . . 0.0 109.892 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' OE2' ' OE2' ' A' ' 63' ' ' GLU . 65.4 mm-40 -68.12 -39.95 82.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.893 -1.129 . . . . 0.0 110.485 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.51 -30.32 68.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 111.617 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.1 t0 -92.44 -31.04 15.43 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.11 -0.994 . . . . 0.0 111.109 -177.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' OE2' ' OE2' ' A' ' 60' ' ' GLU . 18.5 pt-20 -70.22 -31.12 68.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.159 -0.963 . . . . 0.0 108.966 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -159.45 53.34 0.38 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.477 -0.765 . . . . 0.0 109.178 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.72 -27.69 9.7 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -82.2 -3.14 54.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.426 -1.044 . . . . 0.0 110.204 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.96 -145.41 0.16 Allowed Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -157.61 155.18 29.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.123 -1.222 . . . . 0.0 111.289 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 27' ' ' LYS . 13.7 m -131.54 157.27 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 13.6 m-20 -124.96 -155.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 31.6 p90 -63.8 -45.51 89.36 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.39 -0.819 . . . . 0.0 112.373 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.65 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.2 tt0 -75.22 -32.29 61.12 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.387 -1.446 . . . . 0.0 109.553 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 71.9 mt-10 -78.5 -39.91 36.81 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.188 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -79.81 -31.87 40.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.63 -1.294 . . . . 0.0 108.535 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 71' ' ' PHE . 59.4 t -69.76 -39.92 78.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 C-N-CA 118.916 -1.114 . . . . 0.0 109.327 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.2 t -68.54 -40.13 81.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.413 -0.804 . . . . 0.0 109.844 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.59 -36.75 81.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.972 -1.08 . . . . 0.0 109.764 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.71 -40.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.324 -0.86 . . . . 0.0 109.628 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.77 87.07 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -62.48 -36.98 84.21 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.61 -39.99 95.52 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.77 -1.206 . . . . 0.0 109.546 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -60.48 -40.04 89.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.71 -37.26 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.638 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -70.02 -22.18 63.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.788 -0.57 . . . . 0.0 109.915 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 84' ' ' ALA . 3.5 m -149.47 65.56 1.01 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.416 ' H ' ' HG3' ' A' ' 49' ' ' LYS . 22.6 t-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.623 ' HB3' HG22 ' A' ' 14' ' ' VAL . 43.7 mt-10 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.865 0.364 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.833 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 6.2 mp -70.11 -41.46 73.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.938 -1.101 . . . . 0.0 110.526 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.1 -45.74 93.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.854 -1.154 . . . . 0.0 109.842 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.1 m -59.94 -40.11 87.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.18 87.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.555 -0.716 . . . . 0.0 110.419 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -43.14 95.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.024 -1.047 . . . . 0.0 110.278 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.64 -40.15 96.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.042 -1.037 . . . . 0.0 110.189 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -64.98 -39.89 94.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.488 -0.758 . . . . 0.0 110.68 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.8 mt -60.07 -39.67 86.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.143 -0.973 . . . . 0.0 110.129 -178.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -46.42 96.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 O-C-N 121.001 -1.062 . . . . 0.0 110.644 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -61.23 -40.14 92.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.997 -1.065 . . . . 0.0 110.168 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.877 ' CG1' ' CD1' ' A' ' 4' ' ' LEU . 64.8 t -63.64 -39.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.391 -0.818 . . . . 0.0 110.18 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 6.5 m-30 -57.01 -40.11 76.02 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 20' ' ' GLY . 72.8 t60 -56.64 -29.27 62.06 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.99 -51.5 69.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.987 -1.071 . . . . 0.0 110.155 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -78.52 -40.74 34.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.564 -1.335 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 19.9 m -100.95 17.86 21.17 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.484 1.864 0 C-N-CA 118.388 -1.863 . . . . 0.0 109.546 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' B' ' 19' ' ' SER . 73.4 m-85 -50.18 171.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.576 ' HB3' HG23 ' B' ' 69' ' ' VAL . 29.0 tptp -56.88 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.53 -1.356 . . . . 0.0 108.089 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.507 HD22 ' O ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -171.34 161.0 6.35 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.99 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -50.21 147.79 3.95 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 46.5 mttm -52.9 -49.25 66.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.311 -1.493 . . . . 0.0 110.522 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.19 -44.45 75.32 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.677 -1.264 . . . . 0.0 111.29 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.58 -39.91 73.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.87 -1.144 . . . . 0.0 109.758 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.748 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.2 tm? -54.46 -47.41 72.95 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.92 -0.487 . . . . 0.0 111.357 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' HG2' ' HZ2' ' B' ' 34' ' ' LYS . 0.6 OUTLIER -67.54 -40.09 85.02 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.036 -1.665 . . . . 0.0 110.652 -177.818 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.56 -27.7 67.17 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.657 -1.277 . . . . 0.0 109.455 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.04 -59.82 2.55 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 111.567 -178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.4 mp -78.45 -40.01 36.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.582 -1.323 . . . . 0.0 112.791 -177.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -53.8 -33.09 54.95 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 108.192 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -74.37 -40.0 62.38 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -35.47 76.87 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.84 31.43 2.1 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 m -60.11 -40.13 88.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.863 -1.148 . . . . 0.0 110.356 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.3 m -60.79 -33.24 72.68 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' B' ' 46' ' ' ASP . 33.8 m-85 -59.93 -39.63 86.18 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 118.236 -1.386 . . . . 0.0 107.38 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 mt -57.84 -5.23 0.38 Allowed 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 44' ' ' PHE . 64.2 m-20 -50.13 -34.9 23.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.972 -1.08 . . . . 0.0 108.846 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.438 HG13 ' O ' ' B' ' 47' ' ' VAL . 3.0 p -140.09 100.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.185 -0.947 . . . . 0.0 110.475 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 48' ' ' GLN . 10.1 pt20 -69.88 115.13 8.75 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.697 -1.252 . . . . 0.0 108.959 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 84' ' ' ALA . 35.4 mmtm -89.93 -79.95 0.33 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.574 -0.704 . . . . 0.0 109.486 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -99.62 101.52 12.75 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 122.156 0.979 . . . . 0.0 110.299 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.12 -17.85 61.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.347 -0.846 . . . . 0.0 108.991 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -71.29 -39.94 71.17 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.717 -0.614 . . . . 0.0 109.375 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.51 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.53 -51.0 63.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.41 -0.807 . . . . 0.0 109.214 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.665 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -37.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.719 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.84 -40.17 87.63 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.436 -0.79 . . . . 0.0 109.743 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.38 -39.95 85.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.937 -1.102 . . . . 0.0 109.374 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.487 HD11 ' CB ' ' B' ' 80' ' ' ALA . 95.6 mt -60.14 -40.15 82.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.384 -0.823 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.558 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.2 -29.64 68.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.625 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.1 -39.7 87.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.942 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.432 ' OE2' ' OE2' ' B' ' 63' ' ' GLU . 65.0 mm-40 -68.0 -39.98 83.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.999 -1.063 . . . . 0.0 110.594 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -69.34 -30.65 68.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.442 -178.786 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 49.4 t0 -92.18 -31.12 15.59 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.066 -1.021 . . . . 0.0 111.08 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.432 ' OE2' ' OE2' ' B' ' 60' ' ' GLU . 18.4 pt-20 -70.1 -31.36 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.136 -0.978 . . . . 0.0 109.082 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -158.99 53.71 0.41 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.563 -0.711 . . . . 0.0 109.117 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.97 -27.91 11.18 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -82.01 -2.9 53.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -1.036 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.46 -145.33 0.2 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -157.35 155.72 31.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.254 . . . . 0.0 111.487 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' B' ' 27' ' ' LYS . 13.9 m -132.02 157.1 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.53 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 12.4 m-20 -124.67 -154.94 0.64 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 30.8 p90 -64.23 -45.09 89.72 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.404 -0.81 . . . . 0.0 112.349 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.644 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.1 tt0 -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.413 -1.429 . . . . 0.0 109.726 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.53 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 71.5 mt-10 -78.33 -39.91 38.13 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.137 -177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -80.04 -31.78 39.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.663 -1.273 . . . . 0.0 108.557 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 71' ' ' PHE . 64.7 t -70.02 -40.06 78.08 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.252 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -68.29 -40.01 81.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.405 -0.809 . . . . 0.0 110.0 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.66 -37.15 81.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.984 -1.072 . . . . 0.0 109.855 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.28 -40.04 79.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 O-C-N 121.361 -0.837 . . . . 0.0 109.511 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.77 87.72 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.536 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -62.83 -36.64 83.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.94 -40.18 96.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.637 -1.29 . . . . 0.0 109.539 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -60.16 -39.84 87.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.536 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -60.09 -37.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.665 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -70.02 -22.08 63.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.446 ' SG ' ' C ' ' B' ' 84' ' ' ALA . 3.8 m -149.69 65.46 0.99 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.424 ' H ' ' HG3' ' B' ' 49' ' ' LYS . 22.4 t-20 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.406 ' HB2' HG13 ' B' ' 14' ' ' VAL . 48.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.106 0.479 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.85 -40.04 76.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.013 -1.054 . . . . 0.0 109.399 -179.354 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.631 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 10.6 tp10 -59.96 -40.07 87.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.32 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.001 -1.062 . . . . 0.0 109.697 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.69 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.605 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.357 -0.84 . . . . 0.0 109.529 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.91 -40.0 87.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -59.91 -39.75 86.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.88 -39.99 87.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.001 -1.062 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -41.33 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.64 -1.287 . . . . 0.0 109.442 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -62.0 -40.0 94.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.401 -0.812 . . . . 0.0 111.253 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' B' ' 3' ' ' GLU . 38.8 t -70.09 -39.95 77.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 O-C-N 120.481 -1.387 . . . . 0.0 111.523 -178.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.573 ' HD1' ' HZ1' ' A' ' 27' ' ' LYS . 14.7 m-85 -54.52 -37.11 64.98 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.438 -1.414 . . . . 0.0 107.614 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' GLY . 83.9 t60 -60.09 -39.76 87.22 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.331 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -53.51 57.56 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 111.031 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -74.73 -40.78 61.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.525 -1.359 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -89.67 -1.06 57.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.12 -0.988 . . . . 0.0 111.15 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.4 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.243 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' TYR . 19.7 ttpp . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 88.1 m-85 -54.52 -172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.601 ' O ' HD22 ' A' ' 28' ' ' LEU . 11.4 tppt? -67.1 -80.39 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.233 -1.542 . . . . 0.0 109.038 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -174.86 177.71 1.97 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.16 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.5 t -69.99 149.32 47.85 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 60' ' ' GLU . 3.0 mtmt -54.51 -40.11 68.24 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.395 -1.441 . . . . 0.0 109.596 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.98 -51.49 67.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.011 -1.68 . . . . 0.0 110.199 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.9 tp10 -66.01 -40.06 90.78 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.638 -1.289 . . . . 0.0 108.214 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.856 HD23 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -44.82 -41.59 7.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.856 ' N ' HD23 ' A' ' 33' ' ' LEU . 5.9 tptp -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.144 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLU . 57.5 t0 -59.57 -33.95 72.07 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.692 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.2 mp -72.78 -56.08 5.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.363 -0.836 . . . . 0.0 111.659 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -47.47 85.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.87 -1.144 . . . . 0.0 111.679 -177.402 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.48 -17.22 63.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.546 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 1.8 m -81.72 -36.24 28.86 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.405 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.653 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 10.8 pt-20 -89.08 -6.7 56.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.089 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 45' ' ' LEU . 15.5 mt -111.7 29.99 7.37 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -41.09 91.41 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.303 -0.873 . . . . 0.0 110.954 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 96.8 p -75.37 -35.84 61.04 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 108.971 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.1 m-85 -60.42 -39.5 87.63 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 41' ' ' LEU . 6.3 mp -62.35 2.5 0.25 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 44' ' ' PHE . 79.8 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.954 -1.091 . . . . 0.0 109.223 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.57 99.31 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.333 -0.854 . . . . 0.0 109.903 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.5 115.02 6.65 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.09 -1.006 . . . . 0.0 108.783 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -91.66 -74.97 0.49 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.714 . . . . 0.0 110.006 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -98.03 104.27 16.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.02 -1.05 . . . . 0.0 109.927 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.82 -16.65 60.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -70.62 -39.55 73.68 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.03 60.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.679 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -36.77 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 43.4 t0 -59.98 -40.07 87.88 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.619 -0.675 . . . . 0.0 110.259 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.14 -38.81 86.17 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.012 -1.055 . . . . 0.0 109.638 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.446 HG23 HD21 ' A' ' 77' ' ' LEU . 78.2 mt -60.0 -40.05 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 121.573 -0.704 . . . . 0.0 109.35 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.622 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.75 -33.84 76.55 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.326 -0.859 . . . . 0.0 109.301 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -41.85 96.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.081 -1.012 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 71.6 mm-40 -60.1 -40.31 89.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.889 -1.132 . . . . 0.0 110.118 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 30' ' ' LYS . 18.6 mt -66.38 -25.21 66.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.041 0.924 . . . . 0.0 108.58 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.23 -29.14 38.43 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -59.99 -41.51 92.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -169.08 73.88 0.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -49.59 -25.65 6.78 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -87.42 0.16 55.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -1.094 . . . . 0.0 109.888 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.21 -152.34 0.05 OUTLIER Glycine 0 N--CA 1.477 1.421 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CG ' ' A' ' 26' ' ' TYR . 85.7 tt0 -146.91 152.76 39.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.498 -1.001 . . . . 0.0 110.454 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.703 HG21 HD12 ' A' ' 33' ' ' LEU . 10.3 m -133.68 160.32 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.503 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 90.5 m-20 -128.12 -160.11 0.99 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.34 0.59 . . . . 0.0 109.61 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.2 p90 -61.88 -45.09 95.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.81 . . . . 0.0 111.69 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.4 tt0 -70.8 -31.49 68.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.931 -1.106 . . . . 0.0 109.837 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.9 mt-10 -76.88 -35.68 57.26 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.987 -1.071 . . . . 0.0 108.887 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 78' ' ' VAL . 56.9 t80 -69.94 -39.41 76.1 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.115 0.959 . . . . 0.0 109.407 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.6 t -73.84 -42.01 53.83 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.588 -0.695 . . . . 0.0 111.508 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.28 -40.91 78.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 121.548 -0.72 . . . . 0.0 110.598 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD21 HG23 ' A' ' 57' ' ' ILE . 6.7 tp -74.4 -32.3 62.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 109.728 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 74' ' ' PHE . 53.0 t -70.0 -40.23 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.302 -0.874 . . . . 0.0 109.187 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.91 95.88 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.784 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.79 -36.39 78.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.5 tt -69.99 -37.73 75.79 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.403 -1.436 . . . . 0.0 108.969 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.01 -40.04 87.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.9 . . . . 0.0 110.178 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.4 p -58.43 -31.96 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 108.999 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.679 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.12 -24.22 64.08 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.866 -0.521 . . . . 0.0 110.465 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 84' ' ' ALA . 1.5 m -147.74 52.62 1.04 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.482 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.439 ' HB2' HG13 ' A' ' 14' ' ' VAL . 48.1 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.065 0.459 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.403 ' N ' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.991 -1.068 . . . . 0.0 109.464 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.653 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 10.6 tp10 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.254 -0.904 . . . . 0.0 110.183 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -60.04 -40.34 89.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.965 -1.084 . . . . 0.0 109.563 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.59 79.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.415 -0.803 . . . . 0.0 109.73 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.407 -0.808 . . . . 0.0 109.493 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.02 -39.8 87.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 0.0 108.718 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -59.98 -39.84 87.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.799 . . . . 0.0 109.591 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.02 87.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.955 -1.091 . . . . 0.0 109.869 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.99 -41.15 85.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.832 -1.167 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -62.42 -39.86 94.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.553 -0.717 . . . . 0.0 111.322 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 3' ' ' GLU . 40.7 t -70.03 -40.07 78.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.492 -1.38 . . . . 0.0 111.55 -178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.541 ' HD1' ' HZ1' ' B' ' 27' ' ' LYS . 14.8 m-85 -54.27 -37.18 64.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.482 -1.387 . . . . 0.0 107.595 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' B' ' 20' ' ' GLY . 83.5 t60 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -53.55 57.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.981 -1.075 . . . . 0.0 110.98 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -74.81 -40.57 61.02 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.442 -1.411 . . . . 0.0 110.844 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -89.76 -0.97 57.87 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.053 -1.029 . . . . 0.0 111.165 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.47 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 17.4 ttpp . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.46 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 87.1 m-85 -54.71 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.565 ' O ' HD22 ' B' ' 28' ' ' LEU . 11.2 tppt? -66.77 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.378 -1.451 . . . . 0.0 109.071 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.69 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -174.66 177.9 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -70.04 149.29 47.83 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.486 ' CE ' ' O ' ' B' ' 60' ' ' GLU . 2.8 mtmt -54.35 -40.46 68.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.337 -1.477 . . . . 0.0 109.651 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.7 -51.83 66.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.013 -1.68 . . . . 0.0 110.256 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 35' ' ' ASP . 54.7 tp10 -65.71 -40.3 92.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.633 -1.292 . . . . 0.0 108.162 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.853 HD23 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -44.45 -41.93 6.66 Favored 'General case' 0 C--O 1.2 -1.5 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.853 ' N ' HD23 ' B' ' 33' ' ' LEU . 5.6 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 32' ' ' GLU . 58.3 t0 -59.58 -33.79 71.89 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.761 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 36' ' ' LEU . 9.1 mp -72.77 -56.18 5.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.308 -0.87 . . . . 0.0 111.676 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.684 HD23 ' N ' ' B' ' 37' ' ' LEU . 0.2 OUTLIER -60.05 -47.36 86.2 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.814 -1.179 . . . . 0.0 111.749 -177.355 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -69.4 -17.43 63.66 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 -36.03 29.31 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.549 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.631 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 10.6 pt-20 -89.41 -6.4 56.6 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.359 -0.838 . . . . 0.0 109.964 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' HD13 ' B' ' 45' ' ' LEU . 15.5 mt -111.61 29.85 7.48 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.198 -0.939 . . . . 0.0 109.65 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -59.97 -41.31 91.67 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.321 -0.862 . . . . 0.0 110.965 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 96.2 p -75.03 -36.25 61.88 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.7 m-85 -60.0 -39.94 87.47 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 41' ' ' LEU . 5.8 mp -61.93 2.42 0.21 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' B' ' 44' ' ' PHE . 80.3 m-20 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.911 -1.118 . . . . 0.0 109.232 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.62 99.34 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.293 -0.879 . . . . 0.0 110.014 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.25 114.75 6.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.12 -0.987 . . . . 0.0 108.78 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -91.44 -75.18 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.672 -0.642 . . . . 0.0 109.806 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -98.08 104.4 16.43 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.047 -1.033 . . . . 0.0 109.961 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.65 -17.08 60.74 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.42 -39.8 74.22 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.25 58.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.352 -0.842 . . . . 0.0 109.463 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.67 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.89 -36.72 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 44.1 t0 -60.0 -40.0 87.7 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.26 -38.73 85.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.911 -1.118 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.463 HG23 HD21 ' B' ' 77' ' ' LEU . 75.1 mt -59.97 -40.08 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.569 0.699 . . . . 0.0 109.395 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -63.81 -33.68 76.21 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.315 -0.865 . . . . 0.0 109.343 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.27 -41.65 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.056 . . . . 0.0 110.999 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.486 ' O ' ' CE ' ' B' ' 30' ' ' LYS . 71.8 mm-40 -60.05 -40.46 89.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 110.074 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.469 HD22 ' O ' ' B' ' 30' ' ' LYS . 16.2 mt -66.58 -24.97 66.42 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.05 -29.2 39.22 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.05 -41.49 92.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -169.27 74.16 0.09 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -26.02 7.06 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.29 0.45 55.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -1.097 . . . . 0.0 109.838 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.02 -152.54 0.05 OUTLIER Glycine 0 N--CA 1.479 1.515 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.46 ' OE2' ' CG ' ' B' ' 26' ' ' TYR . 85.8 tt0 -146.89 152.81 39.31 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.525 -0.985 . . . . 0.0 110.399 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.715 HG21 HD12 ' B' ' 33' ' ' LEU . 9.8 m -133.83 160.38 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.513 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 89.0 m-20 -128.08 -160.25 1.0 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.4 0.619 . . . . 0.0 109.664 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.2 p90 -61.67 -44.91 96.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 111.734 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.613 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 66.0 tt0 -71.1 -31.37 67.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.937 -1.102 . . . . 0.0 109.85 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 46.2 mt-10 -76.84 -35.93 57.18 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.008 -1.058 . . . . 0.0 108.864 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.73 ' O ' HG23 ' B' ' 78' ' ' VAL . 59.6 t80 -69.66 -40.02 76.7 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.054 0.931 . . . . 0.0 109.35 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.28 -42.08 57.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 121.57 0.7 . . . . 0.0 111.618 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.27 -41.13 78.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.527 -0.733 . . . . 0.0 110.713 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.463 HD21 HG23 ' B' ' 57' ' ' ILE . 7.2 tp -74.47 -32.05 62.44 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.506 -0.746 . . . . 0.0 109.758 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.295 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.81 95.46 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.76 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.405 0.621 . . . . 0.0 109.441 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.611 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.3 tt -69.79 -37.94 76.48 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.335 -1.478 . . . . 0.0 108.989 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.156 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.76 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -58.47 -32.21 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.207 -0.933 . . . . 0.0 108.914 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.67 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -69.15 -23.83 64.0 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.761 -0.587 . . . . 0.0 110.473 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' B' ' 84' ' ' ALA . 1.7 m -147.79 52.4 1.04 Allowed 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.425 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' B' ' 14' ' ' VAL . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.542 0.687 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.176 ' CD2' HD22 ' B' ' 37' ' ' LEU . 4.2 tp -79.24 -54.01 6.39 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 111.185 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.68 -39.62 89.13 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.866 -1.146 . . . . 0.0 109.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.7 m -60.66 -40.54 92.42 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.062 -1.024 . . . . 0.0 110.433 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.453 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.65 -48.81 80.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 111.336 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.63 -39.39 88.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.116 -0.99 . . . . 0.0 110.335 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.8 -40.39 88.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.386 -1.446 . . . . 0.0 108.28 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -63.87 -37.3 86.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.694 -0.629 . . . . 0.0 109.482 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.723 HD11 HD11 ' B' ' 11' ' ' LEU . 7.7 mp -57.06 -44.38 82.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.547 -0.721 . . . . 0.0 109.89 -178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.5 -41.42 90.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 109.709 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -60.98 -40.99 95.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.261 -0.899 . . . . 0.0 112.054 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' HB3' ' B' ' 3' ' ' GLU . 37.8 t -71.14 -40.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.384 -1.447 . . . . 0.0 111.6 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 3.1 m-30 -58.42 -36.69 74.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -60.01 -33.88 72.6 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.0 63.19 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.899 -1.126 . . . . 0.0 109.649 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -71.58 -39.91 70.27 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.392 -1.443 . . . . 0.0 109.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 58.3 m -80.16 -11.8 59.71 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.186 -0.946 . . . . 0.0 110.56 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.171 0 C-N-CA 119.813 -1.184 . . . . 0.0 110.586 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -51.38 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' HD22 ' A' ' 28' ' ' LEU . 27.5 tptt -56.26 -79.72 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.369 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.29 158.8 3.65 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.328 -0.858 . . . . 0.0 109.434 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -50.21 152.95 1.59 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.398 -1.439 . . . . 0.0 107.904 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.644 ' HB3' HD23 ' A' ' 61' ' ' LEU . 46.2 mtpt -58.25 -43.06 87.66 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.613 -1.305 . . . . 0.0 111.381 -177.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -60.13 -46.61 89.06 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.267 -1.521 . . . . 0.0 110.719 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -71.16 -40.74 71.11 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.77 -1.206 . . . . 0.0 108.845 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -42.34 -48.54 5.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.623 -0.673 . . . . 0.0 109.514 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -71.21 -36.59 71.94 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.928 -1.108 . . . . 0.0 112.18 -178.691 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.47 -40.21 95.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.324 -1.485 . . . . 0.0 110.932 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.58 -54.33 14.58 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.304 -0.872 . . . . 0.0 111.91 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.246 HD22 ' CD2' ' B' ' 4' ' ' LEU . 15.2 mt -72.03 -39.0 69.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 113.409 -176.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.66 -28.42 67.25 Favored 'General case' 0 C--N 1.284 -2.263 0 O-C-N 120.664 -1.272 . . . . 0.0 108.501 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 m -79.16 -43.83 23.17 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.758 ' CD ' ' HB3' ' B' ' 4' ' ' LEU . 85.3 tt0 -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.179 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.12 32.35 1.17 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.181 -0.95 . . . . 0.0 108.939 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 m -59.66 -39.99 86.27 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.675 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 83.3 p -60.45 -32.7 71.64 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.251 -0.906 . . . . 0.0 109.07 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -65.15 -39.03 92.42 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.12 -10.02 36.84 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 44.6 t0 -50.68 -32.47 19.39 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.2 p -163.69 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.266 -0.897 . . . . 0.0 110.004 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.8 124.63 24.49 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.136 -0.977 . . . . 0.0 109.833 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 84' ' ' ALA . 71.0 mmtt -81.24 -69.82 0.58 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -97.85 102.9 14.77 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.05 -1.031 . . . . 0.0 109.601 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -13.76 60.62 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -70.2 -39.87 74.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.87 12.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 108.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.69 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -57.11 -35.05 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.527 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 58.8 t0 -59.79 -40.14 87.29 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.81 -40.54 93.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.487 -0.758 . . . . 0.0 108.992 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.56 -41.01 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.03 -35.31 74.81 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.85 -1.157 . . . . 0.0 109.668 179.654 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 61.7 mttp -62.49 -40.76 97.71 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.246 -0.909 . . . . 0.0 111.937 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -70.4 -39.9 74.23 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.523 -1.36 . . . . 0.0 110.044 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 30' ' ' LYS . 24.8 mt -68.5 -29.65 68.31 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.453 -0.779 . . . . 0.0 111.683 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -91.49 -33.46 15.19 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.088 -1.007 . . . . 0.0 110.312 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -28.43 64.89 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 108.959 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -157.91 51.01 0.43 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.695 -0.628 . . . . 0.0 109.557 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.96 -28.24 11.8 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.09 0.1 33.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.452 -1.028 . . . . 0.0 109.005 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.92 -151.5 0.04 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -151.51 147.1 26.41 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.475 -1.014 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 28' ' ' LEU . 4.2 m -129.72 147.71 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.422 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 45.2 p-10 -123.16 -162.03 1.0 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 109.323 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.657 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 1.1 p90 -60.03 -49.42 77.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 111.187 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.4 tm0? -67.27 -38.09 84.52 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.696 -1.253 . . . . 0.0 109.481 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 13.9 tp10 -72.85 -40.03 66.05 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -60.44 -35.92 76.97 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.725 HG11 ' HB2' ' B' ' 79' ' ' ALA . 40.3 t -74.81 -38.12 43.57 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.371 -0.831 . . . . 0.0 111.705 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.66 -45.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.585 -1.322 . . . . 0.0 111.4 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.38 -38.45 74.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.821 -1.174 . . . . 0.0 110.516 179.433 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 74' ' ' PHE . 47.2 t -71.8 -35.37 54.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.025 -1.047 . . . . 0.0 110.099 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.765 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.62 -39.26 93.91 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.562 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -68.13 -22.79 64.85 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 108.735 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -76.03 -40.08 54.27 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.689 -1.257 . . . . 0.0 108.552 179.103 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -68.61 -40.98 80.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.979 -1.076 . . . . 0.0 110.985 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 80' ' ' ALA . 9.8 p -59.65 -38.43 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.69 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -58.14 -21.78 48.23 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.421 ' HA ' ' H ' ' A' ' 49' ' ' LYS . 3.3 m -140.92 64.7 1.42 Allowed 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 71' ' ' PHE . 21.0 m120 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' HB3' HG13 ' A' ' 14' ' ' VAL . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.45 0.643 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.246 ' CD2' HD22 ' A' ' 37' ' ' LEU . 4.3 tp -77.84 -53.88 6.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 111.204 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.71 -39.48 88.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.976 -1.078 . . . . 0.0 109.636 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.23 -40.08 92.68 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.14 -0.975 . . . . 0.0 110.459 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.483 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.71 -48.9 79.73 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 111.213 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 81.9 mmm -60.59 -38.15 83.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.887 -1.133 . . . . 0.0 110.639 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.385 -1.447 . . . . 0.0 108.336 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -65.23 -35.71 81.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.77 -0.581 . . . . 0.0 109.675 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 11' ' ' LEU . 7.3 mp -58.54 -43.76 89.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.666 -0.646 . . . . 0.0 109.893 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.78 -41.8 92.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 O-C-N 121.045 -1.034 . . . . 0.0 109.518 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -60.53 -41.28 94.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.364 -0.835 . . . . 0.0 112.069 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' A' ' 3' ' ' GLU . 34.5 t -70.96 -40.3 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.464 -1.398 . . . . 0.0 111.651 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 3.3 m-30 -58.93 -36.32 74.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.446 -1.409 . . . . 0.0 107.457 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.0 t-80 -59.83 -33.85 72.31 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.2 66.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.038 -1.039 . . . . 0.0 109.566 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -71.96 -40.2 68.81 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.383 -1.448 . . . . 0.0 109.966 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -79.99 -11.18 59.8 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.138 -0.977 . . . . 0.0 110.387 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.338 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.666 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -52.46 175.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.463 ' O ' HD22 ' B' ' 28' ' ' LEU . 26.6 tptt -55.34 -81.03 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 118.438 -1.305 . . . . 0.0 109.589 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.576 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -172.25 158.66 4.53 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 121.269 -0.894 . . . . 0.0 109.396 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -49.22 153.73 0.94 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.438 -1.414 . . . . 0.0 107.93 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.661 ' HB3' HD23 ' B' ' 61' ' ' LEU . 47.0 mtpt -59.53 -42.57 92.59 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.263 . . . . 0.0 110.834 -177.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -59.96 -47.37 86.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.156 -1.59 . . . . 0.0 110.742 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.7 tp10 -70.64 -40.54 73.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.706 -1.246 . . . . 0.0 108.716 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.703 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.9 tm? -42.55 -49.1 5.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.599 -0.688 . . . . 0.0 109.628 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.435 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -70.43 -36.91 74.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.899 -1.126 . . . . 0.0 112.116 -178.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.65 -40.2 96.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.332 -1.48 . . . . 0.0 110.825 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.54 -53.21 20.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.385 -0.822 . . . . 0.0 111.784 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 1.176 HD22 ' CD2' ' A' ' 4' ' ' LEU . 15.4 mt -72.32 -39.87 67.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.939 -1.1 . . . . 0.0 113.292 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -59.17 -28.25 66.43 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 120.816 -1.177 . . . . 0.0 108.53 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -79.39 -42.82 24.66 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.191 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.757 ' CD ' ' HB3' ' A' ' 4' ' ' LEU . 83.6 tt0 -71.36 -36.01 71.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.381 -0.824 . . . . 0.0 109.055 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.74 32.97 0.94 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m -60.16 -39.8 87.65 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.284 -0.885 . . . . 0.0 110.486 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 94.1 p -60.55 -32.8 71.85 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.185 -0.947 . . . . 0.0 108.981 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -64.58 -39.42 93.69 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.89 -10.12 35.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 44.9 t0 -50.52 -32.3 17.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.496 HG13 ' O ' ' B' ' 47' ' ' VAL . 5.0 p -164.05 92.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.35 -0.844 . . . . 0.0 110.197 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.18 124.16 23.44 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 121.087 -1.008 . . . . 0.0 109.685 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' B' ' 84' ' ' ALA . 68.9 mmtt -81.26 -69.66 0.59 Allowed 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -97.78 103.05 14.95 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 109.66 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.16 -14.46 60.96 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -70.51 -38.65 74.32 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -55.22 11.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.99 . . . . 0.0 108.9 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.7 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -56.84 -35.16 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 57.9 t0 -60.14 -39.81 87.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.839 . . . . 0.0 108.997 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.42 -41.3 93.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.434 -0.791 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.17 -40.85 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 109.785 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.13 -35.76 75.99 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.85 -1.156 . . . . 0.0 109.805 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 62.2 mttp -62.63 -40.36 96.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.021 -1.05 . . . . 0.0 112.082 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.16 -40.1 74.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.523 -1.361 . . . . 0.0 109.958 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' B' ' 30' ' ' LYS . 22.9 mt -68.26 -29.23 67.99 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.505 -0.747 . . . . 0.0 111.637 -178.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.26 -32.24 15.11 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 110.426 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -29.02 64.89 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -157.4 51.31 0.46 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.71 -0.619 . . . . 0.0 109.347 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -27.48 10.36 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -81.18 2.01 29.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.334 -1.098 . . . . 0.0 108.836 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.56 -152.02 0.08 OUTLIER Glycine 0 N--CA 1.478 1.453 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -151.6 146.63 25.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.974 . . . . 0.0 110.77 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.576 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.9 m -128.8 148.0 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.407 ' HA ' ' H ' ' B' ' 27' ' ' LYS . 48.8 p-10 -122.91 -161.38 0.95 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 1.1 p90 -60.22 -50.11 74.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.371 -0.831 . . . . 0.0 111.208 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.8 tm0? -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.818 -1.176 . . . . 0.0 109.567 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -72.64 -40.08 66.67 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -61.02 -33.43 73.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' ' 79' ' ' ALA . 38.3 t -77.65 -37.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 O-C-N 121.348 -0.845 . . . . 0.0 111.301 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.45 -42.98 73.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 120.728 -1.232 . . . . 0.0 111.111 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 77' ' ' LEU . 0.7 OUTLIER -72.73 -38.96 67.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.832 -1.168 . . . . 0.0 110.223 179.595 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 74' ' ' PHE . 46.3 t -71.09 -36.45 63.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.007 -1.058 . . . . 0.0 109.963 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.725 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.73 -38.89 92.28 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.562 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -68.09 -22.15 64.93 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.328 1.061 . . . . 0.0 108.665 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.41 ' O ' HD13 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -77.34 -39.97 45.76 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.736 -1.227 . . . . 0.0 108.574 179.632 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -68.59 -40.16 80.6 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.045 -1.034 . . . . 0.0 110.691 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.562 HG12 ' O ' ' B' ' 80' ' ' ALA . 9.2 p -60.05 -38.01 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.7 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -59.12 -21.68 59.67 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.406 ' HA ' ' H ' ' B' ' 49' ' ' LYS . 3.4 m -140.15 63.36 1.48 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.657 ' ND2' ' CE1' ' A' ' 71' ' ' PHE . 20.6 m120 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.663 0.268 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' CD2' HG11 ' B' ' 14' ' ' VAL . 63.4 mt -72.78 -51.46 18.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.606 -1.309 . . . . 0.0 109.985 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.09 -40.25 88.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.006 -1.059 . . . . 0.0 110.07 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -61.24 -40.0 92.38 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 110.605 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.461 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.34 -41.0 92.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 0.0 110.501 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtp -60.05 -38.54 83.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.172 -0.955 . . . . 0.0 110.214 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -40.01 88.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.131 -1.605 . . . . 0.0 108.264 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.27 -39.14 91.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.444 -0.785 . . . . 0.0 109.014 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 7' ' ' ALA . 9.0 mp -56.81 -39.87 74.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.534 -0.729 . . . . 0.0 109.426 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 HD13 ' CE2' ' A' ' 15' ' ' PHE . 35.6 mm -59.96 -46.12 94.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.909 -1.119 . . . . 0.0 110.002 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 0.0 110.784 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' B' ' 4' ' ' LEU . 44.2 t -62.98 -39.93 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 120.775 -1.203 . . . . 0.0 110.857 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' A' ' 19' ' ' SER . 2.8 m-30 -51.9 -37.6 53.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.434 -1.416 . . . . 0.0 107.514 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.9 t60 -56.69 -38.92 72.94 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.06 9.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.77 -1.206 . . . . 0.0 109.083 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -87.27 -45.96 10.14 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.07 -1.018 . . . . 0.0 110.595 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 15' ' ' PHE . 52.8 p -77.38 -38.85 49.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.069 -1.019 . . . . 0.0 111.537 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.158 0.504 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 27' ' ' LYS . 48.9 m-85 -51.34 169.99 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' TYR . 43.7 tptt -52.45 -93.92 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.586 -1.321 . . . . 0.0 108.855 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 179.05 -177.21 0.27 Allowed 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.763 -1.211 . . . . 0.0 110.425 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.16 146.56 14.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.718 ' O ' HD23 ' A' ' 61' ' ' LEU . 39.9 mtpt -59.97 -44.35 94.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.405 -0.81 . . . . 0.0 111.975 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.105 -1.622 . . . . 0.0 110.793 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -79.41 -27.68 41.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.027 -1.045 . . . . 0.0 109.819 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.7 tm? -59.69 -48.82 80.16 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.971 -1.081 . . . . 0.0 109.18 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HB2' HD22 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -65.77 -38.83 90.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.58 -1.325 . . . . 0.0 109.922 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.326 -1.484 . . . . 0.0 110.572 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.46 -57.23 4.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.862 -1.149 . . . . 0.0 112.463 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD13 ' CG2' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -71.88 -32.01 67.01 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.487 -1.383 . . . . 0.0 112.07 -177.411 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -60.05 -29.85 68.8 Favored 'General case' 0 C--N 1.281 -2.389 0 O-C-N 120.923 -1.111 . . . . 0.0 108.525 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -70.82 -40.07 72.69 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.149 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' OE1' ' HB2' ' B' ' 4' ' ' LEU . 3.8 pt-20 -85.3 -12.61 51.95 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.829 -1.17 . . . . 0.0 109.201 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.0 mt -100.88 17.35 22.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -60.11 -40.02 88.24 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 69.0 m -61.93 -39.96 93.87 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 28.0 m-85 -61.15 -39.99 92.16 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.14 -7.93 27.09 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 43' ' ' SER . 46.1 t0 -55.54 -38.6 69.49 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.9 p -145.84 87.45 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.877 -1.14 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.31 120.56 15.32 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.318 -0.864 . . . . 0.0 109.766 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.1 -64.35 1.21 Allowed 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -99.98 99.55 10.32 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -18.82 61.81 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.429 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -70.95 -38.56 72.83 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.569 -0.707 . . . . 0.0 109.456 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.21 54.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.98 -40.17 92.45 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.836 -0.54 . . . . 0.0 110.671 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -66.48 -39.5 88.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.2 -0.938 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.656 ' O ' HD12 ' A' ' 61' ' ' LEU . 81.6 mt -60.01 -49.35 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 108.986 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttm -60.05 -28.0 67.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.891 -0.506 . . . . 0.0 109.682 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.82 -38.5 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.281 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.82 -40.1 79.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.838 -1.164 . . . . 0.0 111.506 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 30' ' ' LYS . 2.2 mp -78.67 -21.63 47.98 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.55 -1.343 . . . . 0.0 110.015 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -86.96 -29.72 21.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.632 -1.292 . . . . 0.0 109.39 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -82.42 -28.64 31.24 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ASP . 83.7 m-20 -143.08 39.47 1.46 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.379 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -46.86 -18.47 0.4 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ASN . 96.0 m-20 -89.78 0.85 56.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.186 -1.184 . . . . 0.0 109.633 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.13 -157.48 2.53 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -145.56 152.54 39.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.718 -0.872 . . . . 0.0 109.736 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.8 m -136.97 150.74 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.339 -0.85 . . . . 0.0 109.078 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.509 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 5.5 m-20 -120.73 -158.25 0.75 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.295 -0.878 . . . . 0.0 110.589 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.76 84.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.718 -0.614 . . . . 0.0 111.859 -177.631 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.662 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.0 -27.87 65.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.6 -1.312 . . . . 0.0 109.551 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 48.9 mp0 -78.73 -40.01 34.72 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.534 -0.729 . . . . 0.0 109.376 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.495 ' CD2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -66.49 -39.28 88.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' B' ' 79' ' ' ALA . 55.7 t -74.89 -42.69 46.53 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 O-C-N 121.664 -0.648 . . . . 0.0 111.654 -177.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' B' ' 76' ' ' VAL . 54.4 t -70.22 -40.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.288 -0.883 . . . . 0.0 110.542 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt -70.77 -40.29 72.73 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.793 -0.567 . . . . 0.0 110.536 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.5 ' CG2' HD13 ' A' ' 37' ' ' LEU . 59.6 t -69.95 -40.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -62.21 -39.72 93.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.899 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.53 -39.6 88.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.593 0.711 . . . . 0.0 109.169 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 81' ' ' LEU . 5.5 tt -65.14 -40.31 94.25 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.611 -1.305 . . . . 0.0 109.707 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 86' ' ' ASN . 94.6 m -62.42 -39.99 95.08 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.014 -1.053 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 80' ' ' ALA . 2.8 p -50.37 -32.57 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.848 -1.157 . . . . 0.0 108.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.0 -22.62 61.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.982 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 87.1 m -131.04 21.18 4.9 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.222 -0.924 . . . . 0.0 109.564 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 82' ' ' THR . 48.8 t30 . . . . . 0 N--CA 1.494 1.739 0 O-C-N 120.988 -1.07 . . . . 0.0 109.698 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.581 0.229 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.569 ' CD2' HG11 ' A' ' 14' ' ' VAL . 61.5 mt -73.16 -51.16 18.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.664 -1.273 . . . . 0.0 109.96 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.02 -40.59 89.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 109.995 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -61.14 -39.97 92.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.85 . . . . 0.0 110.561 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.465 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.71 -40.74 93.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.111 -0.993 . . . . 0.0 110.499 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.4 mtp -60.03 -38.59 83.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.071 -1.018 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.0 87.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.202 -1.561 . . . . 0.0 108.329 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -62.04 -39.52 92.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.417 -0.802 . . . . 0.0 109.051 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 7' ' ' ALA . 9.1 mp -56.65 -39.88 74.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.611 -0.681 . . . . 0.0 109.476 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.435 HD13 ' CE2' ' B' ' 15' ' ' PHE . 37.5 mm -59.88 -46.18 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.94 -1.1 . . . . 0.0 110.003 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -59.98 -39.99 87.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.008 . . . . 0.0 110.882 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.56 HG11 ' CD2' ' A' ' 4' ' ' LEU . 39.2 t -63.2 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.8 -1.188 . . . . 0.0 110.815 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.546 ' O ' ' N ' ' B' ' 19' ' ' SER . 2.7 m-30 -51.85 -37.56 52.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.45 -1.406 . . . . 0.0 107.535 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' B' ' 20' ' ' GLY . 71.9 t60 -56.72 -38.69 72.69 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.8 -57.08 9.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.802 -1.186 . . . . 0.0 109.067 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -87.51 -45.77 10.19 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.998 -1.064 . . . . 0.0 110.633 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 15' ' ' PHE . 53.6 p -77.29 -39.01 49.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.089 -1.007 . . . . 0.0 111.534 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.472 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' B' ' 27' ' ' LYS . 48.6 m-85 -51.38 169.95 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 44.0 tptt -52.35 -93.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.592 -1.318 . . . . 0.0 108.921 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.498 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 178.5 -177.16 0.24 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.754 -1.216 . . . . 0.0 110.33 178.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.04 146.46 14.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.032 -1.042 . . . . 0.0 110.321 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.72 ' O ' HD23 ' B' ' 61' ' ' LEU . 38.5 mtpt -60.04 -44.05 94.91 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.435 -0.79 . . . . 0.0 112.037 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -60.08 -39.92 87.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.109 -1.619 . . . . 0.0 110.778 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -79.63 -27.8 40.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.986 -1.071 . . . . 0.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.722 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.7 tm? -59.54 -49.12 79.01 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.874 -1.141 . . . . 0.0 109.138 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.572 ' HB2' HD22 ' B' ' 61' ' ' LEU . 0.6 OUTLIER -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.512 -1.368 . . . . 0.0 109.968 -179.547 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.93 -40.11 87.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.263 -1.523 . . . . 0.0 110.604 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.61 -57.05 4.74 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.888 -1.132 . . . . 0.0 112.459 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.511 HD13 ' CG2' ' B' ' 78' ' ' VAL . 0.9 OUTLIER -71.7 -32.19 67.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.512 -1.367 . . . . 0.0 112.15 -177.338 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.02 -30.02 68.89 Favored 'General case' 0 C--N 1.281 -2.375 0 O-C-N 121.03 -1.044 . . . . 0.0 108.505 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.6 m -70.78 -39.99 72.86 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.3 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.522 ' OE1' ' HB2' ' A' ' 4' ' ' LEU . 3.9 pt-20 -85.17 -12.84 51.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.891 -1.13 . . . . 0.0 109.129 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -100.77 17.46 21.96 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.338 -0.852 . . . . 0.0 109.899 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 67.8 m -61.83 -39.97 93.66 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 27.6 m-85 -61.29 -39.98 92.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.23 -7.75 26.31 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 43' ' ' SER . 46.2 t0 -55.57 -38.49 69.41 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.084 -1.01 . . . . 0.0 109.217 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.472 HG13 ' O ' ' B' ' 47' ' ' VAL . 4.4 p -146.06 87.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 120.987 -1.071 . . . . 0.0 110.136 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.61 120.5 15.49 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 121.254 -0.904 . . . . 0.0 109.883 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.3 mmmp? -79.96 -64.35 1.21 Allowed 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.1 99.55 10.29 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.03 -18.82 61.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.532 -0.73 . . . . 0.0 109.376 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.2 -38.44 72.06 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 109.45 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.41 51.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 109.246 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -40.3 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 50.3 t0 -60.91 -40.01 91.51 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.083 0.468 . . . . 0.0 110.758 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -66.84 -39.4 87.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.977 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.653 ' O ' HD12 ' B' ' 61' ' ' LEU . 82.4 mt -59.94 -49.15 85.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.335 -0.853 . . . . 0.0 109.04 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttm -59.92 -28.34 67.52 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.822 -0.548 . . . . 0.0 109.698 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.31 -39.17 92.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.952 . . . . 0.0 110.249 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 98.8 mt-10 -68.66 -40.06 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.832 -1.167 . . . . 0.0 111.515 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.72 HD23 ' O ' ' B' ' 30' ' ' LYS . 2.2 mp -78.54 -21.86 48.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.421 -1.424 . . . . 0.0 110.033 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -86.81 -29.83 21.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.657 -1.277 . . . . 0.0 109.383 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -82.41 -28.46 31.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.565 -0.709 . . . . 0.0 109.137 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' B' ' 66' ' ' ASP . 83.2 m-20 -143.05 39.07 1.45 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.532 -0.73 . . . . 0.0 109.504 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -46.58 -18.8 0.39 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.1 m-20 -89.58 0.92 56.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.174 . . . . 0.0 109.632 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.18 -157.49 2.57 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -145.62 152.44 39.67 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.669 -0.9 . . . . 0.0 109.799 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.498 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.1 m -136.88 150.56 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.443 -0.785 . . . . 0.0 109.103 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.492 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 5.4 m-20 -120.56 -158.27 0.74 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.3 -0.875 . . . . 0.0 110.624 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.671 -0.643 . . . . 0.0 111.703 -177.587 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.655 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.03 -27.91 65.05 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.566 -1.334 . . . . 0.0 109.435 -179.438 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 48.4 mp0 -78.46 -40.04 36.76 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.428 -0.795 . . . . 0.0 109.554 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.492 ' CD2' HG23 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.63 -39.06 88.12 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 79' ' ' ALA . 54.5 t -74.94 -42.8 46.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 O-C-N 121.714 -0.617 . . . . 0.0 111.508 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' A' ' 76' ' ' VAL . 54.5 t -70.01 -40.37 78.46 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.252 -0.905 . . . . 0.0 110.602 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -71.3 -40.08 71.07 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.656 -0.652 . . . . 0.0 110.469 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.511 ' CG2' HD13 ' B' ' 37' ' ' LEU . 53.7 t -70.09 -39.88 77.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.179 -0.951 . . . . 0.0 109.333 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.569 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.19 -39.86 94.13 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.865 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.49 -39.84 89.15 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.578 0.704 . . . . 0.0 109.233 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 81' ' ' LEU . 5.4 tt -64.75 -40.98 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.586 -1.321 . . . . 0.0 109.767 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.56 ' O ' ' N ' ' B' ' 86' ' ' ASN . 95.0 m -61.81 -39.99 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 110.308 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.865 HG12 ' O ' ' B' ' 80' ' ' ALA . 2.4 p -50.39 -32.55 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.808 -1.182 . . . . 0.0 108.084 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.19 -22.65 61.24 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.969 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 83.4 m -131.02 21.26 4.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -178.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' B' ' 82' ' ' THR . 47.8 t30 . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.016 -1.053 . . . . 0.0 109.653 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.425 ' CG ' HG22 ' B' ' 14' ' ' VAL . 53.2 tp10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.169 0.509 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -38.77 92.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 110.948 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.539 -1.351 . . . . 0.0 109.48 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -62.77 -40.11 96.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.276 -0.89 . . . . 0.0 111.116 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' B' ' 11' ' ' LEU . . . -68.91 -46.43 68.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.009 -1.057 . . . . 0.0 111.358 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ttt -61.35 -38.44 86.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.954 -1.091 . . . . 0.0 109.982 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.384 -1.447 . . . . 0.0 107.791 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -63.17 -36.5 83.83 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 8.6 mp -59.84 -40.03 87.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.494 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.12 -42.26 89.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.867 -1.146 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.89 -40.01 91.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.164 -0.96 . . . . 0.0 111.089 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG22 ' CG ' ' B' ' 3' ' ' GLU . 16.9 t -69.43 -36.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.903 -1.123 . . . . 0.0 110.67 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.9 m-30 -52.08 -39.95 60.49 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 68.0 t60 -61.97 -31.64 72.01 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.427 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.74 -57.57 9.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.676 -1.265 . . . . 0.0 109.236 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.02 -43.23 24.71 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.953 -1.092 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -75.28 -20.19 59.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.912 -1.118 . . . . 0.0 111.019 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.257 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.204 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -55.74 153.99 7.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 108.987 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.593 ' HB3' HG23 ' A' ' 69' ' ' VAL . 48.1 tptt -49.83 -93.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.121 -0.987 . . . . 0.0 108.949 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 177.46 -177.14 0.18 Allowed 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.023 -1.048 . . . . 0.0 110.455 179.288 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -54.53 145.03 19.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.45 -1.406 . . . . 0.0 110.858 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.66 -41.34 73.5 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.365 -0.834 . . . . 0.0 111.043 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' GLY . 47.2 tptt -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.141 -1.599 . . . . 0.0 110.984 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -73.84 -26.04 60.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.841 -1.162 . . . . 0.0 109.37 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -59.95 -40.04 87.65 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.941 -1.1 . . . . 0.0 109.454 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.945 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -76.07 -48.38 21.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.044 -1.035 . . . . 0.0 111.894 -178.48 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.55 -38.19 86.55 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 120.144 -1.598 . . . . 0.0 109.269 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.32 -55.69 19.56 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.505 -0.747 . . . . 0.0 111.265 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.03 -39.97 75.45 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.614 -1.304 . . . . 0.0 111.924 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 2.9 pp0? -58.32 -28.3 64.93 Favored 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.843 -1.161 . . . . 0.0 108.296 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.29 -40.02 52.68 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.83 0.824 . . . . 0.0 108.994 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -79.82 -9.75 59.7 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.411 0.624 . . . . 0.0 109.326 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -113.66 28.8 8.48 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -60.05 -40.38 89.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.582 -0.699 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -66.37 -28.25 68.5 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 108.775 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.84 -39.99 79.67 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.31 -7.73 4.78 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 43.5 t0 -49.21 -32.09 9.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 0.0 108.824 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.79 93.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.981 -1.074 . . . . 0.0 110.113 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.33 108.74 3.33 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.401 -0.812 . . . . 0.0 108.943 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 84' ' ' ALA . 66.1 mmtt -80.13 -69.51 0.59 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.695 -0.628 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -99.96 100.78 11.72 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.165 -0.96 . . . . 0.0 110.222 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.37 -24.75 63.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 109.183 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -63.7 -40.07 95.88 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.474 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.71 -51.65 67.53 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.507 ' O ' ' SD ' ' A' ' 58' ' ' MET . 51.2 t -51.3 -37.51 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -62.13 -40.02 94.51 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.356 0.598 . . . . 0.0 109.821 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -63.74 -42.21 97.91 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.911 0.862 . . . . 0.0 109.466 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.04 -43.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.705 -0.622 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.79 -29.49 69.47 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.11 -46.65 88.91 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 110.235 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.67 -40.18 96.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.016 -1.052 . . . . 0.0 111.153 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 10.5 mt -65.63 -24.83 67.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.919 -1.113 . . . . 0.0 108.032 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.81 -29.17 32.77 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.1 88.16 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.18 76.99 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -51.18 -25.83 11.8 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 67' ' ' GLY . 35.0 p-10 -89.42 0.94 56.48 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.658 -0.907 . . . . 0.0 109.094 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -61.98 -150.72 0.02 OUTLIER Glycine 0 N--CA 1.479 1.525 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.1 158.86 44.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.166 -1.196 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.658 HG21 HD12 ' A' ' 33' ' ' LEU . 3.1 m -143.39 158.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 29.2 t0 -128.55 -157.46 0.82 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.442 -0.786 . . . . 0.0 109.985 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.1 p90 -60.0 -44.74 94.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 112.853 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.647 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.1 tt0 -78.01 -26.26 48.41 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.522 -1.362 . . . . 0.0 109.565 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.0 mt-10 -80.31 -40.0 27.63 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 118.916 -1.113 . . . . 0.0 110.346 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -77.4 -35.83 53.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.907 -1.121 . . . . 0.0 108.542 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 71' ' ' PHE . 70.1 t -71.02 -40.67 76.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.147 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.6 t -70.24 -39.93 77.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 109.88 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.8 -37.82 82.5 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.707 -0.62 . . . . 0.0 110.219 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.0 t -69.32 -39.89 79.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.398 -0.814 . . . . 0.0 109.117 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.84 87.42 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.2 -39.93 88.27 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.9 tt -63.6 -34.78 78.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.938 -1.101 . . . . 0.0 108.898 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.4 m -59.97 -33.94 72.62 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.812 -1.18 . . . . 0.0 108.687 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.98 -38.54 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.3 -20.98 63.89 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -141.89 60.19 1.47 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.9 p30 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.508 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.443 ' CG ' HG22 ' A' ' 14' ' ' VAL . 53.3 tp10 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.119 0.485 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.43 -38.7 91.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.992 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.398 -1.439 . . . . 0.0 109.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -62.75 -40.02 95.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 111.076 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 11' ' ' LEU . . . -69.07 -46.8 66.91 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.983 -1.073 . . . . 0.0 111.177 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttt -60.94 -38.66 86.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 0.0 110.024 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.72 -40.05 86.7 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.482 -1.387 . . . . 0.0 107.783 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.39 -36.27 83.15 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 8.6 mp -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 0.0 109.494 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -42.23 89.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.92 -1.113 . . . . 0.0 109.593 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.9 -40.09 91.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -0.909 . . . . 0.0 111.073 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.425 HG22 ' CG ' ' A' ' 3' ' ' GLU . 15.4 t -69.48 -36.44 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.847 -1.158 . . . . 0.0 110.76 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.8 m-30 -51.97 -39.97 60.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' B' ' 20' ' ' GLY . 67.8 t60 -62.09 -31.6 72.05 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.424 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.78 -57.55 9.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.709 -1.244 . . . . 0.0 109.175 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.14 -43.08 24.75 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.947 -1.095 . . . . 0.0 110.614 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -75.23 -20.15 59.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.884 -1.135 . . . . 0.0 111.046 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.13 0 C-N-CA 119.626 -1.274 . . . . 0.0 110.109 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -55.9 153.71 8.25 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 109.034 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.574 ' HB3' HG23 ' B' ' 69' ' ' VAL . 47.7 tptt -49.49 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.052 -1.03 . . . . 0.0 108.85 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.615 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.28 -177.15 0.17 Allowed 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.958 -1.089 . . . . 0.0 110.434 179.379 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -54.43 144.96 19.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.416 -1.427 . . . . 0.0 110.831 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -55.56 -41.46 73.32 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.408 -0.807 . . . . 0.0 111.041 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 65' ' ' GLY . 44.6 tptt -59.97 -48.39 81.9 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.095 -1.628 . . . . 0.0 111.027 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -73.89 -25.89 60.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.81 -1.181 . . . . 0.0 109.337 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.938 HD23 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 0.0 109.679 179.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.938 ' N ' HD23 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -76.3 -48.28 20.66 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.987 -1.071 . . . . 0.0 111.893 -178.504 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 -37.66 84.77 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.2 -1.562 . . . . 0.0 109.282 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.91 -55.59 18.38 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.459 -0.776 . . . . 0.0 111.254 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.0 -39.92 75.6 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.568 -1.333 . . . . 0.0 111.966 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.432 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 2.9 pp0? -58.34 -28.28 64.94 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.944 -1.097 . . . . 0.0 108.381 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.1 m -76.26 -40.0 52.93 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.843 0.83 . . . . 0.0 109.028 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -79.87 -9.75 59.7 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.76 29.23 8.15 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.148 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 82.9 p -66.1 -28.79 69.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 108.708 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -68.4 -39.97 81.47 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.49 -7.65 4.93 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 43.4 t0 -49.24 -32.07 9.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 108.765 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.79 92.69 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.971 -1.08 . . . . 0.0 110.284 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -67.87 108.38 2.99 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.287 -0.883 . . . . 0.0 109.185 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' O ' ' B' ' 84' ' ' ALA . 65.9 mmtt -80.04 -69.66 0.57 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -100.04 101.02 11.98 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.056 -1.027 . . . . 0.0 110.129 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -24.57 62.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 109.065 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.94 -40.02 95.49 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.54 -51.66 67.66 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.505 ' O ' ' SD ' ' B' ' 58' ' ' MET . 52.9 t -51.46 -36.97 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.66 -39.93 95.47 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.255 0.55 . . . . 0.0 109.685 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.68 -42.46 98.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.967 0.889 . . . . 0.0 109.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.46 -44.18 95.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.612 -0.68 . . . . 0.0 110.727 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.68 -29.77 69.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.179 -0.95 . . . . 0.0 109.164 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.58 -40.17 96.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.97 -1.081 . . . . 0.0 111.218 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' B' ' 61' ' ' LEU . 10.5 mt -65.64 -24.92 67.15 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -81.74 -29.07 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.06 -40.0 87.92 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.34 76.55 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -50.91 -26.11 10.69 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.364 -1.895 . . . . 0.0 108.364 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 67' ' ' GLY . 34.8 p-10 -88.94 0.77 56.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.7 -0.883 . . . . 0.0 109.077 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -61.88 -150.46 0.02 OUTLIER Glycine 0 N--CA 1.48 1.601 0 N-CA-C 107.958 -2.057 . . . . 0.0 107.958 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.39 159.18 43.99 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.044 -1.268 . . . . 0.0 110.917 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.661 HG21 HD12 ' B' ' 33' ' ' LEU . 2.9 m -143.67 158.39 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.529 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 27.8 t0 -128.63 -157.79 0.84 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.431 -0.793 . . . . 0.0 109.922 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.651 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.7 p90 -60.03 -44.39 94.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.774 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.651 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.9 tt0 -78.09 -26.18 47.97 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.535 -1.353 . . . . 0.0 109.614 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -80.54 -39.9 26.95 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.262 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -77.71 -35.41 52.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.889 -1.132 . . . . 0.0 108.419 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 71' ' ' PHE . 68.9 t -71.1 -40.86 75.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.132 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.9 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.419 -0.8 . . . . 0.0 109.921 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.05 -37.9 81.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.384 0.612 . . . . 0.0 110.195 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.06 -39.94 80.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 109.229 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.546 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.0 -40.34 88.87 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.9 tt -63.26 -34.7 78.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.898 -1.126 . . . . 0.0 108.94 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -60.04 -34.12 72.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.664 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.575 ' CG2' ' OE1' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -59.99 -38.55 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.33 -20.87 63.87 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 0.5 OUTLIER -141.96 60.23 1.47 Allowed 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.715 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 p30 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.539 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.968 0.413 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.913 HD21 HG13 ' B' ' 14' ' ' VAL . 3.7 mm? -74.88 -44.75 47.18 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.886 -1.134 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.62 -41.35 94.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.063 -1.023 . . . . 0.0 110.044 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.0 m -60.25 -40.37 90.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 0.0 110.363 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.13 96.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.3 -0.875 . . . . 0.0 109.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -62.05 -40.93 97.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.815 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.57 -40.14 90.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.346 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.8 m -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.396 -0.815 . . . . 0.0 110.575 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.261 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.07 -40.83 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.814 -1.179 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.39 -31.51 72.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 0.0 110.079 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.869 HG13 HD21 ' B' ' 4' ' ' LEU . 62.7 t -59.93 -49.63 83.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.654 -1.279 . . . . 0.0 110.447 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.7 m-85 -57.31 -24.44 55.04 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.03 -40.08 88.13 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.584 0.707 . . . . 0.0 109.493 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.45 -59.08 3.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.341 -0.849 . . . . 0.0 112.209 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.29 -63.03 1.37 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.73 -1.231 . . . . 0.0 111.899 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 64.6 m -72.64 -13.13 61.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.347 -0.846 . . . . 0.0 111.639 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' PHE . . . . . . . . 0 N--CA 1.489 2.221 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.512 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 27' ' ' LYS . 7.1 m-85 -52.58 171.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.725 ' HB3' HG23 ' A' ' 69' ' ' VAL . 17.7 tptp -51.88 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.389 -1.444 . . . . 0.0 108.434 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.55 -178.53 0.21 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.722 -1.236 . . . . 0.0 110.257 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -47.7 144.66 3.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.948 -1.095 . . . . 0.0 109.324 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 10.3 mtmm -60.06 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.979 -1.075 . . . . 0.0 109.988 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -55.19 -41.3 71.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.126 . . . . 0.0 110.877 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 tp10 -72.14 -34.93 68.91 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.927 -1.108 . . . . 0.0 109.12 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -60.09 -44.67 94.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.0 . . . . 0.0 110.714 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.6 tptp -69.91 -39.9 75.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.064 -1.648 . . . . 0.0 111.103 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -63.99 -39.85 95.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.649 -1.282 . . . . 0.0 109.573 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -68.13 -56.55 8.38 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.871 -0.518 . . . . 0.0 111.868 -177.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.66 -39.94 64.07 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.482 -1.386 . . . . 0.0 112.174 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -53.43 -30.79 42.24 Favored 'General case' 0 C--N 1.287 -2.138 0 O-C-N 121.077 -1.015 . . . . 0.0 108.301 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -74.66 -41.0 61.11 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.721 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -73.45 -30.73 63.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 108.805 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.2 mt -95.82 27.62 3.44 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.709 0.766 . . . . 0.0 108.983 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.83 -40.01 87.02 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.426 -0.796 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 44.2 m -59.79 -27.81 66.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.02 -1.05 . . . . 0.0 109.235 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 29.0 m-85 -63.79 -16.64 61.73 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 117.909 -1.517 . . . . 0.0 107.214 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.99 -4.2 42.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' SER . 92.2 m-20 -59.92 -39.87 86.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.674 -0.641 . . . . 0.0 109.871 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 47' ' ' VAL . 2.8 p -146.89 75.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.027 -1.046 . . . . 0.0 110.168 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.18 116.97 8.57 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 84' ' ' ALA . 20.1 mtpt -97.05 -66.66 0.89 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.826 -0.546 . . . . 0.0 110.65 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -94.46 96.09 9.27 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.661 -1.275 . . . . 0.0 109.511 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.82 61.93 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.151 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.4 -40.01 77.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.87 -52.53 42.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.252 -0.905 . . . . 0.0 109.19 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.657 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.3 t -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -60.84 -40.17 91.82 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.59 -0.694 . . . . 0.0 109.971 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.21 -38.57 88.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.093 -1.004 . . . . 0.0 109.011 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 54' ' ' VAL . 59.2 mt -59.08 -39.93 79.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.13 -0.981 . . . . 0.0 109.407 178.664 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.2 -40.02 92.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.173 -0.954 . . . . 0.0 110.847 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.93 -40.57 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.633 -1.292 . . . . 0.0 110.882 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -70.04 -30.22 67.45 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.156 -0.965 . . . . 0.0 111.292 -179.221 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.99 -28.92 16.11 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.962 -1.086 . . . . 0.0 111.434 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.2 -34.01 74.22 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.126 -0.984 . . . . 0.0 108.383 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -159.55 67.82 0.4 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.59 -23.1 54.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 43.2 t0 -80.37 -2.68 46.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -1.099 . . . . 0.0 109.376 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.5 0.18 Allowed Glycine 0 N--CA 1.484 1.878 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -157.72 158.48 35.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -1.13 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.725 HG23 ' HB3' ' A' ' 27' ' ' LYS . 15.6 m -129.91 147.9 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.512 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 5.8 m-20 -121.6 -171.76 2.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.409 -0.807 . . . . 0.0 109.612 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.708 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 37.7 p90 -49.39 -54.18 18.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.668 -0.645 . . . . 0.0 112.026 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.708 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.07 -27.99 65.06 Favored 'General case' 0 C--N 1.289 -2.034 0 O-C-N 120.848 -1.157 . . . . 0.0 109.865 -178.603 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 47.1 tt0 -81.43 -36.2 29.73 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.394 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -70.05 -34.98 73.92 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.2 -42.43 51.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 O-C-N 121.576 -0.703 . . . . 0.0 111.172 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.06 -41.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 O-C-N 121.442 -0.786 . . . . 0.0 110.705 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.95 -38.45 76.14 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.631 -0.668 . . . . 0.0 110.421 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 74' ' ' PHE . 76.5 t -70.01 -39.9 77.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 108.787 -178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -59.97 -39.89 87.18 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD1' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 tt -61.81 -40.04 93.85 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.938 -1.101 . . . . 0.0 109.303 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -60.13 -39.23 85.56 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.245 -0.909 . . . . 0.0 109.724 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -55.24 -33.89 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.978 . . . . 0.0 108.454 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.657 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.87 -22.08 63.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.583 -0.698 . . . . 0.0 109.403 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 14.3 t -144.53 62.46 1.33 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.2 p30 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 120.773 -1.204 . . . . 0.0 108.032 179.448 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.869 HD21 HG13 ' A' ' 14' ' ' VAL . 3.7 mm? -75.06 -44.79 45.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.843 -1.16 . . . . 0.0 110.053 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.74 -41.42 95.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.932 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -60.17 -40.9 91.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.063 -1.023 . . . . 0.0 110.221 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.99 94.31 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.165 -0.959 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.28 -40.53 96.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.866 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.01 -40.03 92.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.353 -0.842 . . . . 0.0 110.095 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -59.98 -40.1 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.862 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.149 -0.969 . . . . 0.0 109.165 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.01 -40.83 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.858 -1.151 . . . . 0.0 108.992 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -62.56 -31.32 72.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 0.0 110.089 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.913 HG13 HD21 ' A' ' 4' ' ' LEU . 57.7 t -60.0 -49.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.662 -1.274 . . . . 0.0 110.397 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 8.3 m-85 -57.57 -24.44 56.23 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 109.584 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.26 -59.42 2.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.277 -0.889 . . . . 0.0 112.191 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -86.56 -63.24 1.34 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.756 -1.215 . . . . 0.0 112.01 -178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 69.6 m -72.53 -13.18 61.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 111.742 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 15' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.333 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.444 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' B' ' 27' ' ' LYS . 7.3 m-85 -52.2 171.26 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.708 ' HB3' HG23 ' B' ' 69' ' ' VAL . 19.1 tptp -52.3 -89.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.362 -1.461 . . . . 0.0 108.414 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 -178.35 0.23 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.687 -1.258 . . . . 0.0 110.445 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.4 p -47.85 144.67 3.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.048 -1.033 . . . . 0.0 109.252 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 10.8 mtmm -59.97 -50.47 73.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.129 -0.982 . . . . 0.0 110.061 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -54.75 -41.29 70.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 110.996 -177.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -72.35 -34.88 68.32 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.846 -1.159 . . . . 0.0 108.939 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.74 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.3 tm? -60.04 -44.62 94.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.043 -1.036 . . . . 0.0 110.635 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.465 ' N ' HD13 ' B' ' 33' ' ' LEU . 4.0 tptp -69.88 -40.11 75.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.022 -1.674 . . . . 0.0 110.974 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.579 -1.326 . . . . 0.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.33 -56.45 8.52 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.766 -0.583 . . . . 0.0 111.944 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.52 -40.06 64.3 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.481 -1.387 . . . . 0.0 112.078 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -53.38 -30.59 40.58 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.028 -1.045 . . . . 0.0 108.196 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.0 m -74.77 -41.28 60.34 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -73.34 -30.78 63.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.0 108.759 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.3 mt -95.7 27.67 3.37 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.739 0.78 . . . . 0.0 109.005 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -59.87 -40.0 87.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.325 -0.86 . . . . 0.0 110.77 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 44.7 m -59.45 -28.33 66.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.025 -1.047 . . . . 0.0 109.242 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.55 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 29.9 m-85 -63.35 -16.97 62.05 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 118.039 -1.464 . . . . 0.0 107.341 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.85 -4.07 41.76 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' B' ' 43' ' ' SER . 92.2 m-20 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.546 -0.721 . . . . 0.0 109.874 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.49 ' O ' HG22 ' B' ' 47' ' ' VAL . 3.1 p -146.81 75.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.085 -1.009 . . . . 0.0 110.081 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.76 117.27 9.45 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.9 mtpt -97.26 -66.28 0.91 Allowed 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.854 -0.529 . . . . 0.0 110.684 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -94.58 95.66 8.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.827 -1.171 . . . . 0.0 109.566 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.01 -15.97 62.05 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.13 -39.95 78.58 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.515 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -67.11 -52.33 43.13 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.239 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.664 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.3 t -58.34 -35.63 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 52.8 t0 -60.76 -40.05 91.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.974 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.51 -38.41 87.15 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.039 -1.038 . . . . 0.0 109.116 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.11 -39.98 79.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.27 -31.06 69.87 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.123 -0.986 . . . . 0.0 109.405 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.3 -39.99 92.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.211 -0.931 . . . . 0.0 110.959 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.93 -40.56 75.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.67 -1.269 . . . . 0.0 110.783 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -70.02 -30.13 67.35 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.115 -0.99 . . . . 0.0 111.285 -179.228 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -93.04 -28.89 16.1 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.102 -0.999 . . . . 0.0 111.565 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.27 -33.94 73.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -159.7 67.67 0.39 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.06 -23.54 52.3 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 41.8 t0 -80.19 -3.18 47.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -1.08 . . . . 0.0 109.468 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -147.07 0.18 Allowed Glycine 0 N--CA 1.483 1.824 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.01 158.27 34.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -1.105 . . . . 0.0 110.8 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' B' ' 27' ' ' LYS . 14.4 m -129.41 148.15 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.491 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 5.4 m-20 -121.81 -171.59 2.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.318 -0.864 . . . . 0.0 109.485 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 37.9 p90 -49.64 -53.84 21.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.643 -0.661 . . . . 0.0 112.144 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.2 -27.8 64.78 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 120.807 -1.183 . . . . 0.0 110.003 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.491 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 43.9 tt0 -81.66 -36.06 29.21 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.392 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -69.9 -35.46 74.62 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -73.71 -42.8 54.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 121.613 -0.679 . . . . 0.0 111.256 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.93 -40.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 O-C-N 121.364 -0.835 . . . . 0.0 110.753 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.94 -39.13 76.27 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.605 -0.684 . . . . 0.0 110.34 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 74' ' ' PHE . 76.3 t -69.42 -39.87 79.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.26 -0.9 . . . . 0.0 109.003 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.94 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.57 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.0 -40.1 88.02 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.68 -40.01 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.879 -1.138 . . . . 0.0 109.356 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -60.1 -39.39 85.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 109.761 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.57 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -55.06 -33.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 0.0 108.336 -179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.664 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -69.64 -22.0 63.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.622 -0.674 . . . . 0.0 109.577 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 13.8 t -144.65 62.43 1.32 Allowed 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.4 p30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 120.658 -1.276 . . . . 0.0 108.016 179.455 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.407 0.623 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.568 HD21 ' CZ ' ' B' ' 74' ' ' PHE . 3.3 tp -72.45 -54.25 9.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.453 -0.779 . . . . 0.0 110.206 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 1.038 ' OE1' HD23 ' B' ' 41' ' ' LEU . 24.4 tp10 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.028 -1.045 . . . . 0.0 109.947 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.055 -1.028 . . . . 0.0 109.958 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 0.0 110.651 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 tpt -60.1 -42.08 93.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.914 -1.116 . . . . 0.0 110.143 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.047 -1.033 . . . . 0.0 108.482 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.99 -39.52 86.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.643 -0.661 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.94 -39.89 87.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.796 -1.19 . . . . 0.0 109.856 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.09 -44.46 98.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 120.905 -1.122 . . . . 0.0 109.968 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.28 -0.888 . . . . 0.0 111.76 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t -71.76 -37.95 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.536 -1.353 . . . . 0.0 111.146 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.16 -39.43 63.57 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 20' ' ' GLY . 55.4 m-70 -60.05 -36.54 77.53 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.83 -56.65 9.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.794 -1.192 . . . . 0.0 109.132 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.91 -49.9 11.24 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.892 -1.13 . . . . 0.0 110.192 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 m -66.4 -40.04 89.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.219 -0.925 . . . . 0.0 111.156 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.3 m-85 -63.4 158.03 21.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HB3' HG23 ' A' ' 69' ' ' VAL . 26.3 tptt -49.24 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.656 -1.277 . . . . 0.0 109.461 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER 176.45 -176.96 0.13 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.555 -1.34 . . . . 0.0 110.405 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -49.14 147.86 2.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.718 -1.239 . . . . 0.0 109.654 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 3.8 mtmt -59.97 -50.62 73.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.465 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.71 -47.55 63.91 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.157 -1.589 . . . . 0.0 111.099 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -68.14 -39.99 82.53 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.826 -1.171 . . . . 0.0 109.354 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.928 HD22 HG21 ' A' ' 69' ' ' VAL . 2.2 tp -48.12 -46.57 34.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.848 -1.157 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -67.2 -39.72 86.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.788 -1.195 . . . . 0.0 110.884 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.787 -1.196 . . . . 0.0 110.294 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.51 -55.88 10.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.117 -0.99 . . . . 0.0 112.112 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.82 72.01 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.504 -1.372 . . . . 0.0 112.003 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.02 -28.7 67.96 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -76.51 -40.0 51.43 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.516 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.68 -16.16 54.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.087 -1.008 . . . . 0.0 109.581 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.06 HD23 ' OE1' ' B' ' 5' ' ' GLU . 15.9 mt -108.33 32.15 5.03 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.1 m -59.96 -39.98 87.46 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.154 -0.967 . . . . 0.0 110.637 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 73.5 m -60.02 -36.97 78.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' HE2' ' OE2' ' B' ' 5' ' ' GLU . 31.6 m-85 -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.701 -1.2 . . . . 0.0 108.421 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.9 mm? -67.64 -3.43 9.01 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 43' ' ' SER . 52.8 t0 -55.86 -39.49 71.55 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 108.778 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.4 87.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.207 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -66.51 115.37 6.32 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.923 0.868 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 84' ' ' ALA . 21.2 mmmt -79.94 -70.0 0.55 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -100.01 102.82 14.29 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 122.127 0.965 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.93 -13.34 60.52 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.93 -39.98 75.8 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -70.61 -53.8 14.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.922 -1.111 . . . . 0.0 108.574 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.627 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.5 t -52.79 -35.69 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.73 -39.97 93.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.658 . . . . 0.0 109.416 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -41.36 99.14 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.067 0.937 . . . . 0.0 109.342 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 80' ' ' ALA . 80.4 mt -60.08 -42.7 90.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.752 . . . . 0.0 109.876 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 mmt -60.82 -23.67 65.26 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.113 -0.992 . . . . 0.0 109.199 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.52 -41.72 88.36 Favored 'General case' 0 C--O 1.198 -1.649 0 O-C-N 121.336 -0.852 . . . . 0.0 111.19 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 52.6 mp0 -69.51 -42.28 74.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.218 -1.551 . . . . 0.0 110.468 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -61.6 -39.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.564 -0.71 . . . . 0.0 110.241 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.35 -33.59 37.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.896 -1.128 . . . . 0.0 110.386 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.03 -40.07 88.06 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -152.05 61.41 0.85 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -51.46 -31.31 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.156 -1.577 . . . . 0.0 109.156 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.87 0.04 56.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -1.085 . . . . 0.0 108.948 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.45 -149.16 0.05 OUTLIER Glycine 0 N--CA 1.481 1.674 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.24 155.85 39.65 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -1.046 . . . . 0.0 109.997 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.928 HG21 HD22 ' A' ' 33' ' ' LEU . 15.3 m -137.36 156.84 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.564 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 36.9 p-10 -127.12 -159.11 0.91 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.459 -0.776 . . . . 0.0 109.69 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 28.5 p90 -59.93 -47.6 85.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.638 -0.664 . . . . 0.0 112.053 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.698 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.05 -28.3 65.34 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.418 -1.426 . . . . 0.0 109.583 -178.355 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.564 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 60.9 mm-40 -77.96 -40.93 37.83 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.558 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.69 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.6 t80 -68.33 -38.45 81.53 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.355 -0.84 . . . . 0.0 108.759 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.27 -41.76 74.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.01 -39.99 78.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.166 -0.959 . . . . 0.0 110.767 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.32 -32.76 66.83 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.112 -0.992 . . . . 0.0 109.801 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 74' ' ' PHE . 53.7 t -69.68 -40.83 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -0.887 . . . . 0.0 109.546 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.82 92.56 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -59.96 -40.01 87.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.3 -39.98 94.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.777 -1.202 . . . . 0.0 109.125 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 86' ' ' ASN . 45.1 m -59.97 -38.81 83.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.597 -0.689 . . . . 0.0 109.912 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.56 -38.11 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 109.211 -178.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.63 -22.18 60.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 110.44 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 91.9 m -125.11 21.21 8.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.922 . . . . 0.0 108.606 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 82' ' ' THR . 21.2 p-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.392 -0.817 . . . . 0.0 109.975 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.487 0.66 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 3.9 tp -72.68 -53.98 10.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.46 -0.775 . . . . 0.0 110.204 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 1.06 ' OE1' HD23 ' A' ' 41' ' ' LEU . 24.4 tp10 -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 109.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -40.01 87.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.118 -0.989 . . . . 0.0 110.044 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.1 92.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.03 -1.044 . . . . 0.0 110.715 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.6 tpt -60.51 -41.88 95.29 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.183 -0.948 . . . . 0.0 108.558 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.05 -39.29 85.47 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.739 -0.601 . . . . 0.0 110.322 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 109.855 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.91 -44.52 98.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.006 -1.059 . . . . 0.0 109.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.35 -41.12 92.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.791 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.75 -37.87 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.586 -1.321 . . . . 0.0 111.234 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.15 -39.51 63.59 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 20' ' ' GLY . 55.6 m-70 -59.94 -36.59 77.39 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.58 9.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.703 -1.248 . . . . 0.0 109.183 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -79.93 -50.03 11.04 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.823 -1.173 . . . . 0.0 110.16 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.3 m -66.43 -39.98 89.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.227 -0.921 . . . . 0.0 111.16 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.449 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' B' ' 27' ' ' LYS . 93.1 m-85 -63.57 158.23 21.71 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.604 ' HB3' HG23 ' B' ' 69' ' ' VAL . 27.0 tptt -49.37 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.632 -1.292 . . . . 0.0 109.472 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.537 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER 176.63 -176.88 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.598 -1.313 . . . . 0.0 110.416 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -49.34 147.89 2.95 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.759 -1.213 . . . . 0.0 109.678 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 4.0 mtmt -60.03 -50.38 73.96 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.071 -1.018 . . . . 0.0 111.525 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -51.84 -47.52 64.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.048 -1.658 . . . . 0.0 111.114 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -68.19 -40.01 82.31 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 109.327 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.956 HD22 HG21 ' B' ' 69' ' ' VAL . 2.9 tp -48.0 -46.76 33.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.849 -1.157 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -67.16 -39.76 86.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 110.832 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -38.42 82.43 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.809 -1.182 . . . . 0.0 110.256 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.79 -55.74 10.27 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 111.947 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -40.79 71.93 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.337 -1.477 . . . . 0.0 112.008 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.93 -28.86 67.98 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 m -76.28 -40.08 52.59 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.524 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.59 -16.32 54.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.093 -1.004 . . . . 0.0 109.559 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 1.038 HD23 ' OE1' ' A' ' 5' ' ' GLU . 15.5 mt -108.2 32.11 5.04 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.1 m -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.8 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 75.3 m -59.94 -36.91 78.08 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.576 ' HE2' ' OE2' ' A' ' 5' ' ' GLU . 31.7 m-85 -59.96 -40.01 87.58 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.43 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.7 mm? -67.85 -3.38 9.46 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' B' ' 43' ' ' SER . 52.9 t0 -55.82 -39.65 71.68 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.221 -0.924 . . . . 0.0 108.788 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.09 87.55 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.234 -0.916 . . . . 0.0 109.176 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -66.84 115.36 6.53 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.001 0.905 . . . . 0.0 109.368 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.1 mmmt -80.01 -70.04 0.55 Allowed 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -99.96 102.98 14.51 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 122.088 0.947 . . . . 0.0 109.436 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.1 -13.28 60.46 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.45 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -70.94 -53.5 14.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.882 -1.136 . . . . 0.0 108.452 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.634 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.4 t -52.89 -35.5 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.83 -40.0 93.76 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.695 -0.628 . . . . 0.0 109.478 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -41.26 99.19 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.163 -0.96 . . . . 0.0 109.359 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.414 HD11 ' HB3' ' B' ' 80' ' ' ALA . 80.1 mt -59.94 -43.03 91.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.0 mmt -60.51 -23.8 64.82 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.126 -0.984 . . . . 0.0 109.284 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -66.61 -41.56 88.23 Favored 'General case' 0 C--O 1.2 -1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 111.129 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 60' ' ' GLU . 52.2 mp0 -69.51 -42.38 74.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.173 -1.579 . . . . 0.0 110.476 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -61.44 -39.79 92.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.536 -0.728 . . . . 0.0 110.291 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.38 -33.56 37.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.8 -1.187 . . . . 0.0 110.408 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.06 -39.96 87.82 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -152.09 61.33 0.84 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -51.45 -31.17 28.06 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -87.89 -0.02 56.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -1.079 . . . . 0.0 108.996 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.51 -149.03 0.05 OUTLIER Glycine 0 N--CA 1.48 1.631 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -151.49 155.91 39.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -1.054 . . . . 0.0 109.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.956 HG21 HD22 ' B' ' 33' ' ' LEU . 14.0 m -137.3 156.93 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.565 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 37.0 p-10 -127.02 -159.05 0.91 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.462 -0.774 . . . . 0.0 109.685 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.693 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 28.5 p90 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.685 -0.634 . . . . 0.0 111.928 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.693 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -69.91 -28.25 65.45 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.44 -1.412 . . . . 0.0 109.654 -178.315 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.565 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 60.7 mm-40 -77.96 -40.78 38.28 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.608 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.681 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.8 t80 -68.42 -38.33 81.11 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.24 -42.02 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.389 -0.82 . . . . 0.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.0 77.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 O-C-N 121.203 -0.936 . . . . 0.0 110.68 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.26 -32.79 66.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.088 -1.008 . . . . 0.0 109.781 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.3 t -69.84 -40.3 78.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.565 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.59 91.59 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.497 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.95 -40.02 87.57 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.19 -40.1 94.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 86' ' ' ASN . 48.0 m -60.0 -38.96 84.17 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.678 -0.639 . . . . 0.0 109.839 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.497 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -58.38 -38.05 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.147 -0.97 . . . . 0.0 109.284 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.634 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -72.79 -22.24 60.86 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 110.467 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 89.8 m -124.98 21.28 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 108.528 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' B' ' 82' ' ' THR . 21.6 p-10 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.442 -0.786 . . . . 0.0 110.017 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.553 ' HB2' HG13 ' B' ' 14' ' ' VAL . 48.3 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.39 0.614 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.746 ' HG ' HG11 ' B' ' 14' ' ' VAL . 59.3 mt -66.9 -39.91 87.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.382 -0.824 . . . . 0.0 109.795 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 0.0 109.908 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.16 -39.99 88.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.16 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.691 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.24 -40.82 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.039 -1.038 . . . . 0.0 110.431 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.114 -0.991 . . . . 0.0 109.427 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -67.2 -40.0 86.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.436 -0.79 . . . . 0.0 110.558 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 99.7 mt -60.18 -40.09 88.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.93 -42.68 97.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.856 -1.152 . . . . 0.0 109.982 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.51 -42.35 98.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.19 -0.943 . . . . 0.0 111.822 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.703 HG11 ' HG ' ' B' ' 4' ' ' LEU . 25.1 t -70.79 -35.76 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.756 -1.215 . . . . 0.0 111.265 -178.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 6.7 m-30 -59.25 -37.41 77.52 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.8 t60 -60.01 -39.92 87.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.832 -0.542 . . . . 0.0 109.799 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.48 10.2 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.899 -1.125 . . . . 0.0 109.865 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -74.74 -40.03 61.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.703 -1.248 . . . . 0.0 110.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -69.33 -39.66 78.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.16 -0.962 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mptt . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.94 169.55 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.92 -1.112 . . . . 0.0 108.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HZ1' HD23 ' A' ' 36' ' ' LEU . 13.1 tptt -52.99 -85.36 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.731 -1.23 . . . . 0.0 108.453 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 177.26 -175.14 0.14 Allowed 'General case' 0 N--CA 1.512 2.635 0 O-C-N 121.095 -1.003 . . . . 0.0 110.751 178.274 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -56.71 148.54 19.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.982 -1.073 . . . . 0.0 110.903 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.0 -41.66 92.56 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.869 -0.519 . . . . 0.0 111.687 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -60.93 -54.45 44.92 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 119.611 -1.931 . . . . 0.0 110.268 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' LEU . 51.2 tp10 -64.34 -40.0 95.0 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.281 -0.967 . . . . 0.0 108.718 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.013 HD22 HG21 ' A' ' 69' ' ' VAL . 53.9 tp -44.98 -44.62 10.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.967 -1.083 . . . . 0.0 108.253 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.71 ' HB2' HD13 ' A' ' 61' ' ' LEU . 15.6 tptt -60.01 -39.7 86.73 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 120.057 -0.657 . . . . 0.0 109.852 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.03 -34.68 73.71 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.744 -1.223 . . . . 0.0 108.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD23 ' HZ1' ' A' ' 27' ' ' LYS . 9.9 mp -69.99 -56.39 7.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 110.845 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.94 -49.21 78.57 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.872 -1.142 . . . . 0.0 110.682 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.0 -21.33 44.31 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-O 121.443 0.64 . . . . 0.0 109.374 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.99 -32.68 15.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -81.97 -6.17 58.91 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.839 -1.163 . . . . 0.0 109.907 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 27.4 mt -115.15 48.63 1.14 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.988 -1.07 . . . . 0.0 108.3 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 22.6 t -53.36 -40.09 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.056 -1.027 . . . . 0.0 109.927 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.523 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 78.7 p -60.04 -13.06 9.72 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.687 -1.258 . . . . 0.0 108.066 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 80.3 t80 -47.13 -54.01 11.54 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 120.863 -1.148 . . . . 0.0 110.189 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -65.27 -6.05 8.71 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.888 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.693 ' OD1' HG22 ' A' ' 47' ' ' VAL . 4.5 p-10 -60.76 -41.12 94.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.693 HG22 ' OD1' ' A' ' 46' ' ' ASP . 17.2 m -161.63 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.79 118.26 9.39 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.204 -1.56 . . . . 0.0 108.209 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 84' ' ' ALA . 3.7 mtmp? -89.14 -72.62 0.54 Allowed 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.744 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.04 91.14 7.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.074 -1.016 . . . . 0.0 109.644 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -16.93 63.35 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.94 -40.06 75.71 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.48 54.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.685 HG23 ' CB ' ' A' ' 84' ' ' ALA . 2.9 t -57.13 -36.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.1 -39.97 88.03 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.536 -0.727 . . . . 0.0 109.875 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.22 -39.99 89.97 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.918 0.866 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.557 HG23 HD11 ' A' ' 77' ' ' LEU . 80.5 mt -61.03 -43.24 95.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.84 -0.537 . . . . 0.0 111.279 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.514 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.7 ttm -66.84 -26.1 66.75 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.093 -1.005 . . . . 0.0 109.056 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -63.28 -40.0 96.17 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.409 -0.807 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.42 -39.92 74.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.711 -1.243 . . . . 0.0 110.539 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 34' ' ' LYS . 11.8 mt -69.13 -23.97 64.04 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.54 -0.725 . . . . 0.0 109.413 -178.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.74 -36.21 16.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.896 -1.128 . . . . 0.0 109.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.515 0.674 . . . . 0.0 109.475 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.42 HD21 ' HA ' ' A' ' 64' ' ' ASN . 1.4 t-20 -127.83 29.1 5.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.7 -28.71 16.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -86.98 0.14 55.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -1.057 . . . . 0.0 109.795 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.8 -158.27 8.64 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.36 165.23 28.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.63 -0.923 . . . . 0.0 109.819 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.013 HG21 HD22 ' A' ' 33' ' ' LEU . 2.6 m -141.15 155.86 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.549 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 10.9 p-10 -129.1 -158.05 0.86 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.8 p90 -59.99 -44.03 94.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.439 -0.788 . . . . 0.0 111.865 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.679 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 29.2 tt0 -70.61 -29.01 65.28 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.178 -1.576 . . . . 0.0 109.245 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 75.8 mm-40 -81.7 -40.06 23.34 Favored 'General case' 0 C--N 1.284 -2.239 0 C-N-CA 119.664 -0.815 . . . . 0.0 109.665 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 78' ' ' VAL . 8.1 t80 -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.819 0.819 . . . . 0.0 108.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG11 ' HB2' ' B' ' 79' ' ' ALA . 54.8 t -74.38 -42.53 50.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.239 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' GLN . 85.9 t -70.86 -40.03 76.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.261 -0.9 . . . . 0.0 110.611 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 57' ' ' ILE . 11.5 tp -73.38 -34.91 65.81 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.428 -0.795 . . . . 0.0 110.113 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 74' ' ' PHE . 77.9 t -70.06 -39.98 77.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 109.074 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.69 -38.36 90.83 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.56 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.09 -39.99 88.05 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD21 ' HZ1' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -60.41 -43.09 97.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.048 -1.032 . . . . 0.0 108.812 179.523 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -60.02 -34.25 73.11 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.84 -1.163 . . . . 0.0 110.047 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.562 ' HB ' ' OE1' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -53.52 -38.18 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.862 -1.149 . . . . 0.0 108.208 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.685 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.99 -22.67 63.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.5 t -137.92 58.37 1.69 Allowed 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.557 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 63.2 t30 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.56 ' HB2' HG13 ' A' ' 14' ' ' VAL . 48.5 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.347 0.594 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.703 ' HG ' HG11 ' A' ' 14' ' ' VAL . 63.2 mt -66.95 -39.92 87.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.408 -0.807 . . . . 0.0 109.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.0 -40.08 88.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.199 -0.938 . . . . 0.0 110.051 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 110.24 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.17 92.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.272 -0.892 . . . . 0.0 110.707 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.31 -40.72 95.26 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.114 -0.991 . . . . 0.0 110.292 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -39.99 87.87 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.099 -1.0 . . . . 0.0 109.454 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -67.48 -39.95 85.24 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.368 -0.832 . . . . 0.0 110.405 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 98.6 mt -60.08 -40.07 88.28 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.848 -1.157 . . . . 0.0 110.835 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -62.86 -42.59 97.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.87 -1.144 . . . . 0.0 109.982 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.61 -42.31 98.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.235 -0.915 . . . . 0.0 111.861 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.746 HG11 ' HG ' ' A' ' 4' ' ' LEU . 29.0 t -70.84 -35.78 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.693 -1.254 . . . . 0.0 111.2 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.447 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 6.7 m-30 -59.29 -37.4 77.6 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 20' ' ' GLY . 85.8 t60 -60.02 -40.02 87.87 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.195 0.521 . . . . 0.0 109.718 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.28 10.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.9 -1.125 . . . . 0.0 109.861 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.86 -40.02 61.23 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.709 -1.244 . . . . 0.0 110.154 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 12.0 m -69.68 -39.13 77.17 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.03 . . . . 0.0 110.238 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -49.91 169.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.928 -1.108 . . . . 0.0 108.459 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.474 ' HZ2' ' CD2' ' B' ' 36' ' ' LEU . 13.5 tptt -53.02 -85.45 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.786 -1.196 . . . . 0.0 108.41 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.586 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.35 -175.03 0.14 Allowed 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.94 -1.1 . . . . 0.0 110.769 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.5 p -56.58 148.48 19.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.015 -1.053 . . . . 0.0 110.974 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.09 -41.4 92.41 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.796 -0.565 . . . . 0.0 111.781 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -61.09 -54.13 48.5 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.579 -1.95 . . . . 0.0 110.29 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.9 tp10 -64.58 -40.01 94.77 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.669 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 1.023 HD22 HG21 ' B' ' 69' ' ' VAL . 54.3 tp -45.12 -44.42 10.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.718 ' HB2' HD13 ' B' ' 61' ' ' LEU . 15.3 tptt -60.06 -39.82 87.33 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.876 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.01 -34.53 73.46 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.724 -1.235 . . . . 0.0 108.771 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HZ2' ' B' ' 27' ' ' LYS . 10.0 mp -70.04 -56.44 6.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.836 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.664 HD23 ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.02 -49.25 78.42 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.936 -1.103 . . . . 0.0 110.654 -178.152 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -57.95 -21.56 44.7 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 121.439 0.638 . . . . 0.0 109.321 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.8 -32.47 15.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.347 -0.845 . . . . 0.0 110.635 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.15 -6.16 58.98 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.854 -1.154 . . . . 0.0 109.907 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 33.5 mt -115.09 48.32 1.18 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.897 -1.127 . . . . 0.0 108.245 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 26.4 t -53.16 -40.15 64.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.06 -1.025 . . . . 0.0 109.921 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.516 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 79.4 p -60.02 -13.02 9.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.624 -1.298 . . . . 0.0 108.035 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 80.2 t80 -47.1 -54.28 10.84 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.992 -1.068 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' B' ' 42' ' ' SER . 1.1 pt? -65.01 -5.89 7.32 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.994 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.686 ' OD1' HG22 ' B' ' 47' ' ' VAL . 4.6 p-10 -61.12 -40.73 94.87 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.215 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.686 HG22 ' OD1' ' B' ' 46' ' ' ASP . 16.9 m -161.86 68.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.538 -0.726 . . . . 0.0 110.765 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.536 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -65.8 118.05 9.1 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.15 -1.594 . . . . 0.0 108.205 179.183 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ALA . 3.2 mtmp? -89.24 -71.97 0.58 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.803 -0.561 . . . . 0.0 109.823 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.04 90.95 7.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.005 -1.06 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.96 -40.04 75.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -53.43 54.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.698 HG23 ' CB ' ' B' ' 84' ' ' ALA . 3.0 t -56.95 -37.0 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.93 -40.04 87.53 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.912 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.27 -40.05 89.85 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.848 0.833 . . . . 0.0 109.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.541 HG23 HD11 ' B' ' 77' ' ' LEU . 81.5 mt -60.94 -43.47 95.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.914 -0.491 . . . . 0.0 111.323 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.515 ' HA ' HD12 ' B' ' 61' ' ' LEU . 5.9 ttm -66.4 -26.63 67.33 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.215 -0.928 . . . . 0.0 109.025 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -63.05 -40.06 96.59 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.428 -0.795 . . . . 0.0 110.715 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.22 -40.01 74.77 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.759 -1.213 . . . . 0.0 110.509 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' B' ' 34' ' ' LYS . 12.9 mt -69.11 -24.02 64.07 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.638 0.733 . . . . 0.0 109.457 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.17 -36.02 15.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.763 -1.211 . . . . 0.0 109.416 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 63' ' ' GLU . 0.3 OUTLIER -82.74 -27.36 31.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.426 0.631 . . . . 0.0 109.411 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.418 ' HA ' HD21 ' B' ' 64' ' ' ASN . 1.4 t-20 -127.6 29.24 5.53 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.95 -28.56 17.52 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -86.96 0.33 55.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -1.074 . . . . 0.0 109.857 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -158.26 8.59 Favored Glycine 0 N--CA 1.479 1.556 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.63 164.9 29.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.671 -0.899 . . . . 0.0 109.792 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 1.023 HG21 HD22 ' B' ' 33' ' ' LEU . 2.7 m -140.91 156.0 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.401 -0.812 . . . . 0.0 109.431 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.549 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 10.8 p-10 -129.02 -158.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.02 -43.96 94.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.348 -0.845 . . . . 0.0 111.851 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.686 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 29.2 tt0 -70.82 -28.71 64.82 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.087 -1.633 . . . . 0.0 109.22 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 76.2 mm-40 -81.92 -40.01 22.93 Favored 'General case' 0 C--N 1.284 -2.262 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.6 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.739 ' O ' HG23 ' B' ' 78' ' ' VAL . 8.2 t80 -69.99 -39.62 75.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 79' ' ' ALA . 55.5 t -74.12 -42.83 51.84 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 O-C-N 121.062 -1.024 . . . . 0.0 111.208 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 72' ' ' GLN . 86.1 t -70.68 -40.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 O-C-N 121.241 -0.912 . . . . 0.0 110.672 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.541 HD11 HG23 ' B' ' 57' ' ' ILE . 11.2 tp -73.26 -35.09 66.14 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.355 -0.841 . . . . 0.0 110.184 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 74' ' ' PHE . 79.6 t -69.97 -40.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.033 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -63.41 -38.63 91.88 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.565 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.99 -40.03 87.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.519 HD22 HG22 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -60.41 -42.99 97.14 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.011 -1.056 . . . . 0.0 108.892 179.504 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -60.03 -34.49 73.44 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.822 -1.174 . . . . 0.0 110.036 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.565 ' HB ' ' OE1' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -53.33 -38.0 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.794 -1.191 . . . . 0.0 108.14 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.698 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -70.06 -22.76 63.04 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.357 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -137.84 58.07 1.7 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.562 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 63.6 t30 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 43.4 mp0 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.07 0.462 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.55 -40.21 70.15 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.935 -1.103 . . . . 0.0 111.866 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.81 -39.93 93.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.491 -1.381 . . . . 0.0 109.943 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -61.55 -40.2 93.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.436 -0.79 . . . . 0.0 111.28 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.15 75.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.076 -1.015 . . . . 0.0 111.042 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.91 -43.55 98.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.849 -1.157 . . . . 0.0 109.853 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.15 -39.72 87.36 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.221 -0.924 . . . . 0.0 109.022 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.576 -0.702 . . . . 0.0 110.066 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -39.94 87.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.968 -1.082 . . . . 0.0 110.497 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.8 -44.54 98.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.823 -1.173 . . . . 0.0 110.142 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 50.8 t-20 -60.13 -41.5 92.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.002 -1.061 . . . . 0.0 111.183 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.63 -37.61 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.771 -1.205 . . . . 0.0 111.032 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.7 m-30 -55.85 -35.97 67.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 65.5 t60 -60.04 -38.2 82.05 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -57.52 9.26 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.614 -1.304 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -80.12 -48.44 13.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.924 -1.11 . . . . 0.0 110.313 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PHE . 51.9 p -69.9 -35.85 74.94 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.271 -0.893 . . . . 0.0 111.17 -178.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.513 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -53.4 155.12 3.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 47.7 tptt -52.06 -82.77 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.672 -1.267 . . . . 0.0 109.029 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.563 ' O ' HG22 ' A' ' 69' ' ' VAL . 14.8 tp -174.01 -179.33 1.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.262 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 t -65.89 150.59 48.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.482 -1.386 . . . . 0.0 110.946 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 13.4 mmtp -54.27 -47.6 72.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.672 -0.643 . . . . 0.0 110.449 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' GLY . 44.7 tptt -60.02 -43.4 95.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.307 -1.495 . . . . 0.0 111.079 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -84.19 -24.66 30.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.598 -1.314 . . . . 0.0 108.561 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.97 HD22 HG21 ' A' ' 69' ' ' VAL . 55.6 tp -51.37 -51.22 56.52 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -72.58 -33.71 66.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.913 -1.117 . . . . 0.0 111.519 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.88 -40.16 87.73 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.225 -1.547 . . . . 0.0 110.879 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.44 -55.5 6.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 112.981 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.03 -36.39 75.02 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.402 -1.436 . . . . 0.0 111.199 -176.703 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -59.13 -31.56 69.05 Favored 'General case' 0 C--N 1.285 -2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 108.434 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -74.96 -42.36 57.78 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.979 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -31.92 71.99 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.4 mt -98.34 33.75 2.14 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 109.526 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.6 m -59.97 -40.05 87.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 75.7 m -63.7 -30.89 71.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.234 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.488 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.8 m-85 -60.04 -38.03 81.56 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -63.02 -3.04 1.44 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.41 -0.806 . . . . 0.0 108.861 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 43' ' ' SER . 88.5 m-20 -57.56 -40.16 78.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.053 -1.03 . . . . 0.0 108.67 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.0 p -138.21 95.97 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.488 -0.757 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -68.76 106.13 2.55 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 108.292 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.0 mmmp? -80.07 -70.26 0.53 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.617 -0.677 . . . . 0.0 109.418 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -102.32 100.55 10.72 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.92 -18.38 60.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.203 -0.935 . . . . 0.0 109.469 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -70.09 -39.94 75.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.62 -0.675 . . . . 0.0 109.447 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.19 -54.79 20.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.894 -1.129 . . . . 0.0 108.377 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.568 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.2 t -55.54 -34.83 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.97 -40.0 87.55 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.435 -0.791 . . . . 0.0 109.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.72 -40.09 94.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.04 -1.037 . . . . 0.0 109.902 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.4 mp -59.98 -41.32 85.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 108.783 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -62.7 -26.21 68.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.398 -0.813 . . . . 0.0 109.085 179.042 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.02 -40.14 95.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.124 -0.985 . . . . 0.0 110.949 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.54 -40.07 61.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.355 -1.466 . . . . 0.0 110.405 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 9.4 mt -67.91 -26.28 65.91 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.704 -0.622 . . . . 0.0 110.902 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -93.2 -37.83 11.88 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.035 -1.041 . . . . 0.0 110.042 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -30.78 68.11 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.448 -0.782 . . . . 0.0 108.899 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -154.72 67.19 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -62.92 -22.54 64.71 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 51.5 t0 -88.7 5.77 41.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.08 -1.247 . . . . 0.0 109.638 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.14 -151.02 0.13 Allowed Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.47 154.28 36.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.477 -1.013 . . . . 0.0 109.944 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.97 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -140.05 156.44 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.578 -0.701 . . . . 0.0 109.742 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 44.4 p-10 -125.27 -158.71 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.2 p90 -60.0 -45.38 92.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 112.181 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.674 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.0 tt0 -69.78 -27.79 65.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.313 -1.492 . . . . 0.0 108.943 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 61.3 mm-40 -79.28 -41.89 27.06 Favored 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.194 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.7 t80 -69.59 -38.04 77.16 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.347 -0.845 . . . . 0.0 108.81 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.65 HG11 ' HB2' ' B' ' 79' ' ' ALA . 51.3 t -73.85 -42.37 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.57 -0.706 . . . . 0.0 110.9 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.19 -40.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.156 -0.965 . . . . 0.0 110.794 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.94 -33.91 66.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 68.0 t -71.93 -40.25 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.031 -1.043 . . . . 0.0 109.813 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.656 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.02 92.77 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.708 0.765 . . . . 0.0 109.141 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.75 -40.11 93.96 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.638 -1.289 . . . . 0.0 108.468 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -50.95 -34.98 31.07 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.443 HG21 ' CD ' ' B' ' 72' ' ' GLN . 54.5 t -60.17 -41.81 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.618 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -70.03 -20.65 63.25 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.839 -0.538 . . . . 0.0 110.138 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 35.1 m -141.27 59.33 1.52 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.535 ' ND2' ' CZ ' ' B' ' 71' ' ' PHE . 29.0 m120 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.481 ' N ' ' OE1' ' B' ' 3' ' ' GLU . 43.1 mp0 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.58 -40.59 69.81 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.888 -1.133 . . . . 0.0 111.773 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.38 -40.08 93.04 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.513 -1.367 . . . . 0.0 109.993 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.7 m -61.86 -40.05 93.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 111.225 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.39 76.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.134 -0.979 . . . . 0.0 111.068 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.5 tpt -61.9 -43.72 98.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.972 -1.08 . . . . 0.0 109.956 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -39.7 86.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -0.882 . . . . 0.0 108.956 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -60.02 -39.93 87.55 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.684 -0.635 . . . . 0.0 110.032 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.91 -40.0 87.35 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.007 -1.058 . . . . 0.0 110.471 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.92 -44.12 98.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 120.656 -1.277 . . . . 0.0 110.177 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 51.3 t-20 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.956 -1.09 . . . . 0.0 111.04 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.05 -38.24 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.756 -1.215 . . . . 0.0 111.083 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.6 -36.04 66.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' B' ' 20' ' ' GLY . 64.2 t60 -59.87 -38.4 82.07 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.81 -57.8 8.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.726 -1.234 . . . . 0.0 109.236 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -79.93 -48.49 13.33 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.835 -1.165 . . . . 0.0 110.224 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.8 p -69.95 -36.04 74.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.332 -0.855 . . . . 0.0 111.217 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.542 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -53.43 155.15 3.03 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.757 -1.215 . . . . 0.0 107.933 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.485 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 48.3 tptt -52.25 -82.76 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.067 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.568 ' O ' HG22 ' B' ' 69' ' ' VAL . 14.8 tp -173.92 -179.46 1.73 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.161 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.431 ' H ' ' HG ' ' B' ' 28' ' ' LEU . 10.4 t -65.58 150.6 48.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.453 -1.404 . . . . 0.0 110.991 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' B' ' 61' ' ' LEU . 13.3 mmtp -54.26 -47.59 72.11 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.725 -0.609 . . . . 0.0 110.408 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' B' ' 65' ' ' GLY . 45.1 tptt -59.97 -43.45 95.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.294 -1.504 . . . . 0.0 111.179 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -84.3 -24.45 29.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.584 -1.323 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.995 HD22 HG21 ' B' ' 69' ' ' VAL . 55.8 tp -51.61 -51.06 58.62 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -72.8 -33.6 66.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 111.567 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.199 -1.563 . . . . 0.0 110.835 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.56 -55.37 6.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.082 -1.012 . . . . 0.0 112.978 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.642 HD23 ' N ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -69.91 -36.7 75.6 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.369 -1.457 . . . . 0.0 111.34 -176.744 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -58.87 -31.69 68.79 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.945 -1.097 . . . . 0.0 108.328 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.1 m -74.86 -42.17 58.41 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.057 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -32.23 72.3 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -97.87 33.81 2.03 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.521 -0.737 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.041 -1.037 . . . . 0.0 110.95 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.9 m -63.94 -30.83 71.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 109.322 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 m-85 -59.96 -38.21 81.83 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -62.96 -2.75 1.31 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.481 -0.762 . . . . 0.0 108.971 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' B' ' 44' ' ' PHE . 88.0 m-20 -58.05 -40.01 79.85 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.98 -1.075 . . . . 0.0 108.569 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.555 HG13 ' O ' ' B' ' 47' ' ' VAL . 4.6 p -138.39 96.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.422 -0.799 . . . . 0.0 110.272 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -68.99 106.29 2.71 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.933 -1.105 . . . . 0.0 108.156 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.1 mmmp? -79.98 -70.74 0.49 Allowed 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.86 100.63 10.97 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -0.912 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.15 60.84 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.481 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -69.99 -39.93 75.62 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.483 0.659 . . . . 0.0 109.53 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -54.56 22.67 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.883 -1.135 . . . . 0.0 108.387 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.566 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.2 t -55.72 -34.89 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -59.86 -40.04 87.25 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 121.51 -0.744 . . . . 0.0 109.371 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.63 -40.12 94.92 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.047 . . . . 0.0 109.888 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' B' ' 57' ' ' ILE . 1.4 mp -59.91 -41.29 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.89 . . . . 0.0 108.803 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -62.77 -26.12 68.55 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.035 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.0 -40.09 95.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.131 -0.98 . . . . 0.0 110.9 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.82 -40.0 61.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.357 -1.464 . . . . 0.0 110.438 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' B' ' 30' ' ' LYS . 9.4 mt -67.76 -26.64 66.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.655 -0.653 . . . . 0.0 110.886 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -92.92 -37.68 12.11 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.041 -1.037 . . . . 0.0 110.163 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -30.94 68.39 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 108.936 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -154.81 67.18 0.68 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.471 -0.768 . . . . 0.0 109.13 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -62.83 -22.55 64.53 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 49.7 t0 -88.56 5.24 43.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.636 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.55 -151.14 0.1 Allowed Glycine 0 N--CA 1.482 1.719 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.46 154.56 36.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.033 . . . . 0.0 109.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.995 HG21 HD22 ' B' ' 33' ' ' LEU . 2.9 m -140.4 156.69 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 109.714 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.522 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 44.8 p-10 -125.41 -158.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.366 -0.834 . . . . 0.0 112.053 -178.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.678 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 8.5 tt0 -69.55 -28.24 65.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.281 -1.512 . . . . 0.0 108.927 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.522 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 61.0 mm-40 -79.06 -41.52 28.59 Favored 'General case' 0 C--N 1.281 -2.384 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.239 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.546 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.7 t80 -69.88 -37.76 76.16 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.388 -0.82 . . . . 0.0 108.804 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 79' ' ' ALA . 46.1 t -74.43 -41.85 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.462 -0.774 . . . . 0.0 110.975 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.7 t -70.75 -40.05 76.35 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 O-C-N 121.264 -0.898 . . . . 0.0 110.884 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -73.4 -33.98 65.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.056 -1.027 . . . . 0.0 110.104 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 74' ' ' PHE . 71.7 t -71.8 -40.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.109 -0.995 . . . . 0.0 109.799 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.65 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.33 -37.15 84.7 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.72 0.771 . . . . 0.0 109.111 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.74 -39.92 93.27 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.571 -1.331 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -51.34 -34.7 34.95 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.447 HG21 ' CD ' ' A' ' 72' ' ' GLN . 54.5 t -60.15 -42.37 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.332 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 34.8 m -141.26 59.24 1.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 28.8 m120 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.811 0.339 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.23 -42.07 72.72 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -61.74 -40.2 94.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.056 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -40.04 88.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.316 -0.865 . . . . 0.0 109.246 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.11 85.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.577 -0.702 . . . . 0.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.95 -1.094 . . . . 0.0 110.271 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.06 -40.31 89.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.978 -1.076 . . . . 0.0 110.373 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -62.15 -40.05 94.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 110.663 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 93.7 mt -59.98 -39.73 86.69 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.044 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.18 -43.92 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.914 -1.117 . . . . 0.0 110.219 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.06 -40.07 88.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.996 -1.065 . . . . 0.0 110.939 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 6.1 t -69.24 -31.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 120.273 -1.517 . . . . 0.0 110.413 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.8 m-30 -54.61 -37.74 65.94 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 30.9 m-70 -59.46 -33.39 71.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -53.06 -56.44 16.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.881 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.06 -0.21 42.34 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 120.846 -1.159 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.3 m -135.62 -2.92 2.38 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.801 -1.187 . . . . 0.0 110.658 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.355 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.325 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.62 161.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.992 -1.067 . . . . 0.0 109.137 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' HG23 ' A' ' 69' ' ' VAL . 18.9 tptp -50.78 -85.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.985 -1.072 . . . . 0.0 108.584 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.673 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 173.0 -175.32 0.06 Allowed 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.179 -0.95 . . . . 0.0 110.393 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 p -46.66 146.28 1.6 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.225 -1.547 . . . . 0.0 110.157 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HG2' HG13 ' A' ' 69' ' ' VAL . 36.2 mtpt -60.04 -50.09 75.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.383 -0.823 . . . . 0.0 111.598 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.637 -1.29 . . . . 0.0 110.605 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -71.72 -32.5 67.83 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.811 -1.156 . . . . 0.0 109.437 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.04 -44.3 94.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.599 -1.313 . . . . 0.0 108.756 178.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -40.46 75.75 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.866 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.59 -40.14 94.98 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.118 -1.614 . . . . 0.0 109.849 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.53 -52.23 65.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.42 -0.8 . . . . 0.0 110.592 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.04 -39.76 68.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.998 -1.064 . . . . 0.0 111.919 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -22.5 66.92 Favored 'General case' 0 C--N 1.288 -2.104 0 O-C-N 120.63 -1.294 . . . . 0.0 108.31 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -72.33 -39.96 67.79 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.952 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -90.99 -7.22 52.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.297 -0.877 . . . . 0.0 110.198 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -104.77 42.22 1.24 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m -59.96 -40.04 87.7 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.285 -0.885 . . . . 0.0 110.137 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.3 p -58.43 -24.21 59.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.404 -0.81 . . . . 0.0 110.147 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.01 -23.65 63.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.593 -1.317 . . . . 0.0 107.483 179.528 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -78.07 -9.13 59.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.88 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 109.962 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 47' ' ' VAL . 2.6 p -157.07 82.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.983 -1.073 . . . . 0.0 110.717 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.71 17.88 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.925 -1.109 . . . . 0.0 108.418 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' ALA . 28.3 mtpt -103.94 -50.46 3.38 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.661 -0.649 . . . . 0.0 110.234 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -102.34 102.39 12.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.177 -0.952 . . . . 0.0 110.81 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -18.79 57.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.552 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -71.58 -40.06 70.16 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.719 -0.613 . . . . 0.0 109.432 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.36 66.78 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.301 -0.874 . . . . 0.0 109.156 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 58' ' ' MET . 61.1 t -59.66 -39.95 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.0 -40.06 92.09 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 37.2 ttpt -65.95 -41.64 91.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.158 -0.964 . . . . 0.0 109.807 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.48 -41.67 88.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.528 -0.732 . . . . 0.0 110.111 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.8 -28.51 68.82 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.61 -39.81 92.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.313 -0.867 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 44.4 mp0 -69.98 -36.36 75.14 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.698 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 10.1 mt -75.71 -24.42 56.21 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.9 -1.125 . . . . 0.0 110.239 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -92.84 -29.35 16.0 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.856 -1.153 . . . . 0.0 110.846 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -69.71 -34.31 73.71 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.171 -0.956 . . . . 0.0 108.547 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -151.13 54.36 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.06 -29.46 14.82 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -87.05 0.39 55.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.58 -0.953 . . . . 0.0 109.338 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.44 -153.5 3.27 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -142.53 159.56 42.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.467 -1.019 . . . . 0.0 110.624 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.678 HG23 ' HB3' ' A' ' 27' ' ' LYS . 2.7 m -130.94 159.88 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.529 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 32.1 t0 -127.27 -160.28 0.99 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -62.25 -45.18 94.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 0.0 111.23 -178.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 61.8 tt0 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.737 -1.227 . . . . 0.0 109.903 -178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.5 mt-10 -80.62 -39.93 26.57 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.71 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -70.24 -38.67 75.22 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.035 -1.041 . . . . 0.0 108.759 179.253 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.406 HG23 ' CD2' ' A' ' 74' ' ' PHE . 53.4 t -73.84 -40.18 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.382 -0.823 . . . . 0.0 110.778 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.5 t -70.78 -41.51 77.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.483 -0.761 . . . . 0.0 111.122 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.59 -35.75 70.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.4 t -69.93 -40.1 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.116 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.26 84.93 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.871 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -64.18 -34.02 77.13 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 54.8 tp -68.24 -40.06 82.11 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 109.805 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 85' ' ' CYS . 4.1 m -63.99 -36.83 85.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.602 -1.311 . . . . 0.0 109.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.871 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.7 p -50.98 -30.39 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -59.98 -37.59 80.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' THR . 30.2 t -140.18 58.33 1.59 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' THR . 64.8 t30 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.806 0.336 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.93 -42.27 73.5 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.845 -1.159 . . . . 0.0 109.702 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.67 -40.25 94.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.137 -0.977 . . . . 0.0 110.121 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 87.4 m -60.16 -39.91 88.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.276 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.14 85.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.608 -0.682 . . . . 0.0 110.536 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -49.01 79.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.994 -1.067 . . . . 0.0 110.293 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.11 -40.46 89.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.903 -1.123 . . . . 0.0 110.471 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -62.39 -39.84 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.752 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.1 mt -59.99 -39.89 87.29 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.138 -0.976 . . . . 0.0 109.922 -179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.03 -43.79 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.835 -1.166 . . . . 0.0 110.313 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.909 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 5.9 t -69.64 -31.83 50.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.9 m-30 -54.5 -37.96 65.92 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' B' ' 20' ' ' GLY . 30.3 m-70 -59.21 -33.56 71.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -52.97 -56.42 16.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.295 -0.878 . . . . 0.0 109.891 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.01 -0.32 42.27 Favored 'General case' 0 N--CA 1.511 2.577 0 O-C-N 120.81 -1.181 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.418 ' N ' ' O ' ' B' ' 15' ' ' PHE . 4.2 m -135.56 -2.96 2.39 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.773 -1.205 . . . . 0.0 110.651 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.367 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.296 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -48.43 161.34 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.04 -1.038 . . . . 0.0 109.176 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.703 ' HB3' HG23 ' B' ' 69' ' ' VAL . 19.3 tptp -50.94 -85.09 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.991 -1.068 . . . . 0.0 108.614 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.674 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 172.77 -175.4 0.05 Allowed 'General case' 0 N--CA 1.51 2.569 0 O-C-N 121.159 -0.963 . . . . 0.0 110.352 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -46.7 146.39 1.58 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.181 -1.574 . . . . 0.0 110.048 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' B' ' 69' ' ' VAL . 35.7 mtpt -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.498 -0.751 . . . . 0.0 111.63 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -60.03 -40.58 89.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.568 -1.332 . . . . 0.0 110.598 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -71.81 -32.49 67.64 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.362 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.855 HD12 ' O ' ' B' ' 33' ' ' LEU . 0.4 OUTLIER -60.15 -44.38 95.03 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.643 -1.285 . . . . 0.0 108.836 178.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.418 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 0.2 OUTLIER -69.84 -40.52 75.79 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.637 -177.805 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.62 -40.0 94.72 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.136 -1.602 . . . . 0.0 109.859 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.7 -52.19 65.32 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.549 -0.719 . . . . 0.0 110.472 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.96 -39.87 69.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.975 -1.078 . . . . 0.0 111.923 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -22.09 66.69 Favored 'General case' 0 C--N 1.287 -2.14 0 O-C-N 120.672 -1.267 . . . . 0.0 108.405 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -72.63 -40.02 66.77 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.926 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -91.11 -7.48 51.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.355 -0.84 . . . . 0.0 110.267 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 93.8 mt -104.54 42.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.0 m -60.19 -39.7 87.44 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.129 -0.982 . . . . 0.0 109.992 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -58.51 -24.35 60.31 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 110.033 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.04 -23.43 63.73 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.547 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.23 -9.04 59.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.93 -40.05 87.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.303 -0.873 . . . . 0.0 109.966 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.465 ' O ' HG22 ' B' ' 47' ' ' VAL . 2.6 p -157.17 82.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 110.764 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.28 17.05 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.009 -1.057 . . . . 0.0 108.435 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' B' ' 84' ' ' ALA . 26.0 mtpt -103.64 -50.53 3.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.674 -0.641 . . . . 0.0 110.209 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -102.03 102.62 13.14 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.183 -0.948 . . . . 0.0 110.783 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.16 -18.73 57.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 108.597 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -71.71 -39.99 69.8 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.771 -0.581 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.4 66.92 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.803 . . . . 0.0 109.061 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.483 ' O ' ' SD ' ' B' ' 58' ' ' MET . 58.7 t -59.48 -40.03 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -60.92 -39.96 91.39 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.276 0.56 . . . . 0.0 110.583 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 37.3 ttpt -66.08 -41.73 90.34 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.173 -0.954 . . . . 0.0 109.752 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.57 -41.29 87.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.569 -0.707 . . . . 0.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -61.07 -28.73 69.29 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.261 -0.899 . . . . 0.0 109.214 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.28 -39.86 91.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.761 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 44.6 mp0 -70.05 -36.22 74.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.79 -1.194 . . . . 0.0 110.798 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 10.2 mt -75.89 -24.5 55.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.934 -1.104 . . . . 0.0 110.157 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -92.5 -29.6 16.14 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.82 -1.175 . . . . 0.0 110.927 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.48 -34.44 74.34 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.185 -0.947 . . . . 0.0 108.638 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -151.16 54.44 0.87 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.07 -29.74 15.41 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -86.62 0.08 55.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.582 -0.952 . . . . 0.0 109.267 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.1 -153.32 2.94 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mp0 -142.88 159.61 41.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -1.093 . . . . 0.0 110.525 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' B' ' 27' ' ' LYS . 2.7 m -130.92 160.01 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.533 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 32.6 t0 -127.49 -160.58 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.411 -0.806 . . . . 0.0 108.954 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.1 p90 -61.77 -45.44 93.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 0.0 111.363 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.603 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 61.9 tt0 -70.05 -27.23 64.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.699 -1.25 . . . . 0.0 109.783 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -81.01 -39.79 25.31 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 121.052 -1.03 . . . . 0.0 109.709 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.464 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -70.1 -39.31 75.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.133 -0.979 . . . . 0.0 108.694 179.202 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' B' ' 74' ' ' PHE . 54.4 t -73.35 -40.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.372 -0.83 . . . . 0.0 110.99 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.4 t -70.88 -41.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 O-C-N 121.441 -0.787 . . . . 0.0 111.029 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.72 -35.62 70.24 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.288 -0.883 . . . . 0.0 109.851 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.9 t -70.13 -40.06 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.852 . . . . 0.0 110.103 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.54 85.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.87 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -64.03 -34.31 77.72 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 56.2 tp -68.05 -40.01 82.89 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.925 -1.11 . . . . 0.0 110.036 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.534 ' O ' ' N ' ' B' ' 85' ' ' CYS . 4.1 m -63.91 -37.08 86.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.661 -1.274 . . . . 0.0 109.093 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.87 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.9 p -50.84 -30.39 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.07 -37.32 79.57 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' B' ' 82' ' ' THR . 30.7 t -140.25 58.43 1.58 Allowed 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 82' ' ' THR . 65.0 t30 . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.516 2.566 . . . . 0.0 119.516 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -80.01 167.27 20.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -1.13 . . . . 0.0 109.216 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.0 -49.21 78.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.216 -0.928 . . . . 0.0 110.265 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' B' ' 18' ' ' HIS . 50.6 mt -69.98 -40.45 75.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.87 -39.28 93.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.346 -0.846 . . . . 0.0 109.452 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.78 -39.78 86.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.506 -0.746 . . . . 0.0 109.59 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.17 84.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -0.911 . . . . 0.0 110.277 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.81 91.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.861 -1.149 . . . . 0.0 110.43 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.94 -40.01 94.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.046 -1.034 . . . . 0.0 110.686 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.5 m -63.06 -40.21 97.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.9 -1.125 . . . . 0.0 110.895 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 83.1 mt -60.42 -39.93 89.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.008 -1.057 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.08 -40.8 90.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.987 -1.07 . . . . 0.0 110.047 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.34 -41.63 98.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.93 -31.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.752 -1.218 . . . . 0.0 110.081 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m-30 -57.91 -38.61 76.18 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 20' ' ' GLY . 83.4 t60 -60.06 -36.04 76.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.56 -57.64 6.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.526 -1.359 . . . . 0.0 109.382 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' B' ' 4' ' ' LEU . 77.6 m80 -79.93 -47.83 14.39 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.968 -1.082 . . . . 0.0 111.056 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 21' ' ' LYS . 69.9 m -81.02 -9.94 59.77 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.126 -0.984 . . . . 0.0 112.35 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -59.62 13.43 0.03 OUTLIER Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.602 -1.311 . . . . 0.0 111.369 -178.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' H ' ' C ' ' A' ' 19' ' ' SER . 26.7 tptp -53.46 -17.55 2.07 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.515 -1.579 . . . . 0.0 107.877 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.48 ' N ' ' C ' ' A' ' 20' ' ' GLY . 26.9 tp10 85.62 -21.25 0.23 Allowed 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.082 -1.417 . . . . 0.0 109.527 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.84 -84.37 0.34 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -98.45 110.01 22.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.435 -1.038 . . . . 0.0 108.934 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -70.0 -18.21 63.31 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.403 ' C ' ' H ' ' A' ' 28' ' ' LEU . 11.5 m-85 -50.01 172.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 69' ' ' VAL . 23.8 tptt -82.03 19.1 1.19 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.719 -1.238 . . . . 0.0 108.631 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 28' ' ' LEU . 2.9 mt 81.61 -176.06 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.789 0 CA-C-O 122.616 1.198 . . . . 0.0 112.004 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 m -67.67 150.93 48.09 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -56.41 -36.68 69.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.961 -1.087 . . . . 0.0 110.723 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -60.06 -44.16 94.92 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.77 -1.206 . . . . 0.0 110.101 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' LEU . 81.0 tt0 -73.53 -56.13 5.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.882 -1.136 . . . . 0.0 111.059 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.13 -39.42 2.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.898 -1.126 . . . . 0.0 110.587 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.907 ' N ' HD13 ' A' ' 33' ' ' LEU . 25.0 tptp -66.61 -40.27 88.73 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.311 -1.493 . . . . 0.0 110.212 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 44.0 t0 -60.23 -39.66 87.45 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.562 -1.336 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.94 -56.61 9.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.53 -0.731 . . . . 0.0 112.572 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.7 mm? -76.22 -40.09 53.0 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.733 -1.229 . . . . 0.0 112.193 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -54.76 -27.63 42.7 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.137 -0.977 . . . . 0.0 108.716 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -94.89 -41.67 9.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.509 -0.745 . . . . 0.0 109.107 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.99 -38.05 81.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.399 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 12.8 mt -86.4 39.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -46.05 -40.49 10.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.265 -0.897 . . . . 0.0 110.625 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 19.0 m -58.62 -16.71 17.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 26.8 t80 -59.97 -43.73 94.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.0 mp -63.93 -14.09 50.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' SER . 48.4 t0 -57.33 -35.71 70.23 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.386 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 47' ' ' VAL . 1.6 p -166.24 87.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.728 -1.232 . . . . 0.0 111.315 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.05 140.13 56.28 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.1 mmmt -108.97 -81.02 0.57 Allowed 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 -178.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -93.84 108.74 20.49 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.0 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.06 59.93 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -71.53 -40.02 70.34 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.73 58.11 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.168 -0.958 . . . . 0.0 108.828 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -40.0 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -60.34 -40.46 90.75 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.073 0.464 . . . . 0.0 111.415 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.72 -39.97 76.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 110.13 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 81' ' ' LEU . 1.5 mp -64.25 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -25.59 68.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.449 -0.782 . . . . 0.0 108.908 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -64.4 -40.02 94.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.5 -0.75 . . . . 0.0 111.067 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.29 -38.09 74.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.693 -1.255 . . . . 0.0 110.995 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD13 ' HB2' ' A' ' 34' ' ' LYS . 2.9 mt -78.91 -22.45 45.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.022 -1.049 . . . . 0.0 110.543 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.99 -30.25 15.43 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.777 -1.202 . . . . 0.0 109.996 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.17 -34.63 71.12 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 66' ' ' ASP . 48.3 t30 -151.65 56.76 0.86 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.74 -13.99 0.96 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 64' ' ' ASN . 97.0 m-20 -85.3 0.27 52.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -1.013 . . . . 0.0 108.904 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -62.21 -150.73 0.02 OUTLIER Glycine 0 N--CA 1.479 1.547 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -145.71 154.62 42.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.358 -1.083 . . . . 0.0 111.307 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.4 m -139.94 142.68 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.7 t0 -128.24 -154.74 0.65 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.3 p90 -61.32 -48.64 80.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.283 -0.886 . . . . 0.0 112.285 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 1.044 ' CD ' ' CG2' ' B' ' 83' ' ' VAL . 9.9 tt0 -70.01 -28.1 65.22 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.537 -1.352 . . . . 0.0 109.07 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 28.5 mm-40 -80.82 -36.96 30.89 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.2 t80 -69.93 -38.25 76.14 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.413 -0.804 . . . . 0.0 109.218 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.859 HG11 ' HB2' ' B' ' 79' ' ' ALA . 49.7 t -76.75 -42.56 33.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 O-C-N 121.499 -0.751 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.543 HG13 HG13 ' B' ' 76' ' ' VAL . 76.9 t -72.68 -39.98 61.19 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 O-C-N 121.272 -0.893 . . . . 0.0 110.417 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.31 -39.9 64.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.49 -0.756 . . . . 0.0 110.505 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 74' ' ' PHE . 88.6 t -71.98 -37.68 61.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.405 -0.809 . . . . 0.0 109.04 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.855 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -66.64 -36.72 83.24 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.524 ' HA ' ' OE1' ' B' ' 72' ' ' GLN . . . -60.25 -42.45 95.32 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.896 0.855 . . . . 0.0 108.754 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 57' ' ' ILE . 94.1 mt -60.1 -40.99 91.55 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.443 -1.411 . . . . 0.0 107.909 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 86' ' ' ASN . 1.2 m -49.97 -30.02 9.63 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.512 -0.742 . . . . 0.0 109.182 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.039 ' CG2' ' CD ' ' B' ' 72' ' ' GLN . 47.1 t -59.95 -45.51 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-O 122.291 1.043 . . . . 0.0 108.396 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.616 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -68.95 -21.87 64.16 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.861 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.524 ' C ' ' H ' ' A' ' 87' ' ' ASN . 33.3 t -135.94 29.74 3.11 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.567 -1.333 . . . . 0.0 108.165 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 82' ' ' THR . 40.9 p30 -57.59 -0.55 0.07 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.831 . . . . 0.0 109.9 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 85' ' ' CYS . 0.6 OUTLIER -52.27 117.77 3.05 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.292 -178.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -70.02 -25.89 63.8 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 91' ' ' GLU . 78.7 m-85 -71.24 -6.96 43.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 0.0 109.447 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.424 ' C ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -63.63 41.61 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.769 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 89' ' ' PHE . 79.6 mm-40 -80.36 134.39 36.03 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 108.869 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -90.61 -0.01 57.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.043 . . . . 0.0 109.82 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.658 179.805 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.808 0 N-CA-C 119.36 2.504 . . . . 0.0 119.36 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -79.84 167.42 20.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -1.165 . . . . 0.0 109.1 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.49 -49.08 79.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 110.181 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 18' ' ' HIS . 50.8 mt -69.89 -40.64 75.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.028 -1.045 . . . . 0.0 109.157 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.67 -39.29 93.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.4 -0.812 . . . . 0.0 109.372 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.82 -39.9 86.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 109.53 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.23 84.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.0 110.284 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.67 92.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.993 -1.067 . . . . 0.0 110.489 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.97 -40.1 94.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.092 . . . . 0.0 110.821 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -62.92 -39.96 96.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.02 -1.05 . . . . 0.0 110.946 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.7 mt -60.49 -40.08 90.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.042 -1.036 . . . . 0.0 111.009 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -41.17 91.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.965 -1.084 . . . . 0.0 109.994 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.99 -41.58 99.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.177 -0.952 . . . . 0.0 111.401 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.18 -31.33 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.612 -1.305 . . . . 0.0 110.177 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 9.0 m-30 -58.3 -38.42 77.01 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' B' ' 20' ' ' GLY . 83.1 t60 -60.04 -35.84 75.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.58 7.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD11 ' A' ' 4' ' ' LEU . 92.7 m-70 -79.97 -48.03 14.02 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.943 -1.098 . . . . 0.0 111.001 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.549 ' C ' ' H ' ' B' ' 21' ' ' LYS . 67.6 m -80.87 -10.09 59.76 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.099 -1.001 . . . . 0.0 112.319 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.44 13.27 0.03 OUTLIER Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.44 -1.362 . . . . 0.0 111.433 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' B' ' 19' ' ' SER . 26.8 tptp -53.27 -17.25 1.64 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.569 -1.548 . . . . 0.0 107.916 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' B' ' 20' ' ' GLY . 26.6 tp10 85.02 -21.02 0.25 Allowed 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.608 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.09 -83.88 0.38 Allowed Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -98.87 109.86 22.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -1.142 . . . . 0.0 108.926 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -18.26 63.34 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.411 ' C ' ' H ' ' B' ' 28' ' ' LEU . 11.4 m-85 -49.96 173.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 69' ' ' VAL . 23.2 tptt -82.31 19.22 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.812 1.292 . . . . 0.0 108.634 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.536 HD23 ' N ' ' B' ' 28' ' ' LEU . 2.9 mt 81.51 -176.24 0.05 Allowed 'General case' 0 N--CA 1.514 2.767 0 CA-C-O 122.513 1.149 . . . . 0.0 112.176 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -67.56 150.32 48.97 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -55.83 -36.98 68.08 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.987 -1.07 . . . . 0.0 110.677 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -60.02 -44.25 94.72 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.794 -1.191 . . . . 0.0 109.97 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 33' ' ' LEU . 81.0 tt0 -73.34 -56.24 5.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.784 -1.197 . . . . 0.0 111.08 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.946 ' O ' HD22 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -42.88 -39.4 2.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.94 -1.1 . . . . 0.0 110.61 -178.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.88 ' N ' HD13 ' B' ' 33' ' ' LEU . 24.9 tptp -66.83 -40.2 87.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.097 -1.627 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 44.6 t0 -60.06 -39.88 87.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.633 -1.292 . . . . 0.0 109.213 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.03 -56.53 9.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.581 -0.699 . . . . 0.0 112.638 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.552 HD22 ' N ' ' B' ' 37' ' ' LEU . 3.8 mm? -76.32 -40.16 52.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.7 -1.25 . . . . 0.0 112.224 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -54.52 -27.64 39.67 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 121.138 -0.976 . . . . 0.0 108.712 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -94.91 -41.68 9.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.451 -0.781 . . . . 0.0 109.085 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.95 -37.98 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 12.9 mt -86.76 39.47 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -45.74 -40.56 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.363 -0.836 . . . . 0.0 110.589 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 19.9 m -58.62 -16.95 18.26 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 27.2 t80 -60.07 -43.48 95.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.542 ' N ' HD12 ' B' ' 45' ' ' LEU . 10.1 mp -64.08 -14.25 53.23 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' B' ' 43' ' ' SER . 48.4 t0 -57.2 -35.66 69.89 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.282 -0.886 . . . . 0.0 109.404 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.5 ' O ' HG22 ' B' ' 47' ' ' VAL . 1.9 p -166.38 87.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.729 -1.232 . . . . 0.0 111.427 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.24 140.02 56.03 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.888 -1.132 . . . . 0.0 107.949 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.643 ' N ' ' O ' ' B' ' 84' ' ' ALA . 16.8 mmmt -108.85 -80.89 0.57 Allowed 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -93.95 108.64 20.42 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.15 0.976 . . . . 0.0 109.002 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.39 59.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -71.22 -39.88 71.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.514 -0.741 . . . . 0.0 109.797 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.84 56.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 108.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -40.0 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -60.37 -40.42 90.73 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 121.097 0.475 . . . . 0.0 111.498 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -69.98 -40.03 75.58 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.144 -0.972 . . . . 0.0 109.979 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.473 HG21 HD21 ' B' ' 81' ' ' LEU . 1.5 mp -64.12 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -25.91 68.27 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -64.21 -40.04 95.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 111.117 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.2 -38.4 75.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.656 -1.278 . . . . 0.0 110.984 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' B' ' 34' ' ' LYS . 2.9 mt -78.64 -22.73 46.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 110.567 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.8 -30.01 15.69 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.69 -1.256 . . . . 0.0 110.061 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.39 -34.47 70.42 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' B' ' 66' ' ' ASP . 48.9 t30 -151.56 56.42 0.87 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.5 -14.23 0.92 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' B' ' 64' ' ' ASN . 96.9 m-20 -85.07 0.03 52.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -1.05 . . . . 0.0 108.957 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -62.02 -150.83 0.02 OUTLIER Glycine 0 N--CA 1.48 1.581 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -145.78 154.74 42.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.246 -1.149 . . . . 0.0 111.042 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 m -139.96 142.67 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.8 t0 -128.24 -154.67 0.65 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.1 p90 -61.45 -48.8 79.49 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.297 -0.877 . . . . 0.0 112.218 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 1.039 ' CD ' ' CG2' ' A' ' 83' ' ' VAL . 10.0 tt0 -69.92 -28.02 65.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.511 -1.368 . . . . 0.0 109.047 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 29.2 mm-40 -80.83 -36.87 30.99 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.545 ' O ' HG23 ' B' ' 78' ' ' VAL . 4.5 t80 -70.04 -38.47 75.84 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.417 -0.802 . . . . 0.0 109.229 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 79' ' ' ALA . 53.7 t -76.33 -42.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.443 -0.786 . . . . 0.0 111.166 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.543 HG13 HG13 ' A' ' 76' ' ' VAL . 75.9 t -72.75 -39.99 60.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 O-C-N 121.216 -0.927 . . . . 0.0 110.493 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 110.405 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 74' ' ' PHE . 78.3 t -72.11 -37.75 60.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.332 -0.855 . . . . 0.0 109.015 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.859 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.56 -36.72 83.34 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.522 ' HA ' ' OE1' ' A' ' 72' ' ' GLN . . . -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.854 0.835 . . . . 0.0 108.821 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.473 HD21 HG21 ' B' ' 57' ' ' ILE . 92.4 mt -60.07 -40.9 91.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.457 -1.402 . . . . 0.0 107.766 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 86' ' ' ASN . 1.3 m -50.06 -30.02 10.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.436 -0.79 . . . . 0.0 109.27 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 1.044 ' CG2' ' CD ' ' A' ' 72' ' ' GLN . 46.7 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.938 -1.102 . . . . 0.0 108.429 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.643 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -68.95 -21.71 64.17 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.019 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.502 ' C ' ' H ' ' B' ' 87' ' ' ASN . 33.8 t -136.11 29.93 3.05 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.573 -1.329 . . . . 0.0 108.148 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.4 p30 -57.83 -0.5 0.08 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 0.0 109.961 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' B' ' 85' ' ' CYS . 0.6 OUTLIER -52.32 117.75 3.05 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.167 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -70.01 -25.46 63.6 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.583 ' O ' ' N ' ' B' ' 91' ' ' GLU . 78.7 m-85 -71.72 -6.62 42.59 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.409 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 0.3 OUTLIER -63.82 40.86 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.343 -0.848 . . . . 0.0 110.778 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' B' ' 89' ' ' PHE . 79.3 mm-40 -79.2 134.7 36.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.023 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -90.84 -0.14 57.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.989 -1.069 . . . . 0.0 109.818 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.062 -0.97 . . . . 0.0 109.61 179.817 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.608 2.603 . . . . 0.0 119.608 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -81.23 161.47 23.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -1.119 . . . . 0.0 109.692 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.336 -0.852 . . . . 0.0 109.832 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.584 HD13 HG11 ' B' ' 14' ' ' VAL . 0.7 OUTLIER -71.06 -42.08 69.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.896 -1.127 . . . . 0.0 110.341 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.32 -40.11 77.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.742 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.16 -39.9 88.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.355 -0.84 . . . . 0.0 109.764 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.75 91.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.178 -0.951 . . . . 0.0 110.324 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.814 -1.179 . . . . 0.0 110.03 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.9 -36.63 77.39 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 108.793 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -60.12 -38.7 83.81 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.507 -0.746 . . . . 0.0 109.935 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.862 -1.149 . . . . 0.0 110.356 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.18 -48.76 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.509 -1.369 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.99 -39.45 85.78 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.852 -1.155 . . . . 0.0 110.405 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG11 HD13 ' B' ' 4' ' ' LEU . 55.3 t -59.99 -38.93 78.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.043 -1.036 . . . . 0.0 110.088 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.77 -35.18 68.36 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.165 -0.959 . . . . 0.0 108.502 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -59.24 -37.64 78.06 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.33 -56.56 9.12 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 110.439 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -95.1 -48.47 5.94 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.675 -1.266 . . . . 0.0 111.283 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -73.73 -24.49 59.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.924 -1.11 . . . . 0.0 111.264 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.45 96.44 Favored Glycine 0 N--CA 1.493 2.46 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -11.55 59.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.37 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 24' ' ' ASP . 52.0 tp10 -93.23 140.55 29.41 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.69 70.89 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 97.2 m-20 -85.71 120.4 27.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.234 -1.156 . . . . 0.0 109.649 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' TYR . 49.5 mtmt -67.04 -31.4 71.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.491 -0.755 . . . . 0.0 109.81 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 64.2 m-85 -49.3 175.27 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 109.117 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HB3' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -57.63 -79.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.846 -1.159 . . . . 0.0 109.42 -179.051 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.48 -177.06 1.4 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.106 -0.996 . . . . 0.0 108.711 -179.418 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -69.18 155.44 40.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -57.11 -49.4 76.03 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.516 -1.365 . . . . 0.0 111.676 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.65 -46.31 90.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.084 -1.635 . . . . 0.0 110.825 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.67 -40.01 91.93 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.869 -1.145 . . . . 0.0 109.08 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -56.1 -39.99 72.99 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.534 -0.729 . . . . 0.0 109.502 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.735 ' N ' HD13 ' A' ' 33' ' ' LEU . 34.6 tptt -72.37 -51.95 18.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.709 -1.245 . . . . 0.0 111.306 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 51.2 t0 -57.56 -28.97 64.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.409 -1.432 . . . . 0.0 109.772 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.18 -56.09 5.31 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.77 -0.581 . . . . 0.0 110.777 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.48 -55.07 6.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.119 -0.988 . . . . 0.0 111.593 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -48.56 -25.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.131 -0.98 . . . . 0.0 108.562 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 m -80.28 -38.54 30.6 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.96 -17.18 53.6 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 HD22 ' A' ' 81' ' ' LEU . 29.0 mt -96.2 33.02 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.6 m -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.696 -0.628 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 52.3 m -64.7 -26.06 68.21 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.917 -1.114 . . . . 0.0 108.958 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 57.4 m-85 -70.11 -24.21 63.16 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.622 -1.299 . . . . 0.0 107.88 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 10.7 mp -74.4 -0.96 18.96 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 43' ' ' SER . 96.2 m-20 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.293 -0.88 . . . . 0.0 109.566 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.52 90.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.212 -0.93 . . . . 0.0 109.484 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 45' ' ' LEU . 25.5 mp0 -68.69 113.26 6.02 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.382 -0.824 . . . . 0.0 110.601 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 84' ' ' ALA . 32.1 mmtp -80.57 -69.98 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -100.89 95.43 6.61 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.144 0.973 . . . . 0.0 110.462 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.5 63.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.734 -1.229 . . . . 0.0 108.672 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -70.69 -39.9 73.23 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.5 62.54 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.1 t -59.69 -37.9 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 47.8 t0 -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.9 -0.5 . . . . 0.0 110.587 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -67.47 -39.43 85.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.911 -1.118 . . . . 0.0 109.364 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.518 HD11 ' CB ' ' A' ' 80' ' ' ALA . 83.0 mt -59.9 -40.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.566 0.698 . . . . 0.0 109.217 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.3 -35.84 81.42 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.087 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' OE1' ' CD1' ' A' ' 77' ' ' LEU . 98.9 mt-10 -60.88 -40.03 91.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 110.621 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 28.5 mt -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.077 -1.014 . . . . 0.0 109.11 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 56.0 t0 -85.41 -30.95 23.17 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 109.864 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.76 -40.01 90.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.389 -0.819 . . . . 0.0 108.86 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 13.7 p-10 -155.35 58.06 0.64 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -48.73 -27.37 6.19 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.58 0.05 57.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.98 . . . . 0.0 109.536 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.85 -154.3 1.36 Allowed Glycine 0 N--CA 1.479 1.535 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -143.94 159.25 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.335 -1.097 . . . . 0.0 111.267 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.689 HG23 ' HB3' ' A' ' 27' ' ' LYS . 15.7 m -133.49 146.92 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.507 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 3.8 m-20 -128.84 -152.88 0.54 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.24 -0.913 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.708 ' HZ ' HG22 ' B' ' 83' ' ' VAL . 8.8 p90 -59.49 -48.24 82.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.828 -0.545 . . . . 0.0 111.401 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.625 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 57.6 tt0 -69.97 -31.05 68.57 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.453 -1.405 . . . . 0.0 109.656 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 53.7 mp0 -83.52 -36.59 23.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.075 -1.016 . . . . 0.0 109.648 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 78' ' ' VAL . 9.9 t80 -70.02 -38.39 75.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 109.024 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' B' ' 79' ' ' ALA . 53.8 t -77.38 -44.53 30.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.067 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.829 HG13 HG13 ' B' ' 76' ' ' VAL . 95.8 t -71.56 -40.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 110.537 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD21 HG23 ' A' ' 57' ' ' ILE . 5.3 tp -71.92 -38.3 69.92 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.404 -0.81 . . . . 0.0 110.387 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 74' ' ' PHE . 72.2 t -69.63 -39.98 78.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.94 -1.1 . . . . 0.0 108.524 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -59.99 -38.63 83.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 81' ' ' LEU . 9.8 tt -62.15 -40.12 94.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.418 -1.426 . . . . 0.0 109.094 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.3 m -59.54 -30.6 68.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.559 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.734 HG22 ' HZ ' ' B' ' 71' ' ' PHE . 52.7 t -59.04 -39.96 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.83 -20.53 65.87 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.737 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.67 ' O ' ' N ' ' A' ' 87' ' ' ASN . 13.3 t -148.66 70.43 1.12 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.44 56.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' CYS . 37.2 t30 -51.12 138.84 19.28 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.961 0.886 . . . . 0.0 111.233 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -147.62 -69.92 0.23 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -90.72 -10.09 44.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.511 -0.743 . . . . 0.0 109.314 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -94.6 41.87 1.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.324 -0.86 . . . . 0.0 110.17 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 15.8 pt-20 -72.15 148.36 45.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.59 137.4 57.34 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.026 -1.046 . . . . 0.0 109.715 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.586 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.844 0 N-CA-C 119.556 2.583 . . . . 0.0 119.556 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -81.45 161.34 23.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 0.0 109.473 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.89 -48.48 81.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.296 -0.878 . . . . 0.0 109.769 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.594 HD13 HG11 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -70.86 -42.26 70.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.986 -1.071 . . . . 0.0 110.345 -179.249 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.39 -39.92 77.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.035 -1.041 . . . . 0.0 109.721 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.15 -39.96 88.19 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.439 -0.788 . . . . 0.0 109.654 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.11 89.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.202 -0.937 . . . . 0.0 110.39 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.023 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.91 -36.57 77.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.18 -0.95 . . . . 0.0 108.804 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -38.91 83.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.431 -0.793 . . . . 0.0 109.917 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.853 -1.155 . . . . 0.0 110.375 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.08 -48.55 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.406 -1.434 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.01 -39.36 85.57 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.884 -1.135 . . . . 0.0 110.407 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.584 HG11 HD13 ' A' ' 4' ' ' LEU . 54.9 t -60.01 -38.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.001 -1.062 . . . . 0.0 110.162 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.93 -34.9 68.44 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -59.32 -37.86 78.85 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.09 -56.72 8.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.128 -0.982 . . . . 0.0 110.433 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.0 -48.73 5.86 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 120.653 -1.279 . . . . 0.0 111.25 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -73.5 -24.53 60.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.924 -1.11 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -42.91 96.14 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 119.531 -1.319 . . . . 0.0 110.275 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -11.69 60.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.355 . . . . 0.0 109.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 51.4 tp10 -93.07 140.83 29.07 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.04 71.33 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.407 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 97.2 m-20 -85.85 120.37 27.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -1.192 . . . . 0.0 109.728 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 26' ' ' TYR . 49.4 mtmt -66.66 -31.72 72.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.501 -0.749 . . . . 0.0 109.924 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 25' ' ' LYS . 64.2 m-85 -49.17 175.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.14 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.705 ' HB3' HG23 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -57.34 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.764 -1.21 . . . . 0.0 109.374 -179.099 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -173.05 -177.12 1.51 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.034 -1.041 . . . . 0.0 108.736 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -69.07 155.42 40.39 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -57.08 -49.53 75.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.516 -1.365 . . . . 0.0 111.565 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -60.68 -46.38 90.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.127 -1.608 . . . . 0.0 110.862 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -65.62 -39.97 92.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.877 -1.139 . . . . 0.0 109.031 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.746 HD13 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -56.03 -39.99 72.8 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.558 -0.714 . . . . 0.0 109.542 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.746 ' N ' HD13 ' B' ' 33' ' ' LEU . 33.4 tptt -72.28 -52.18 17.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.815 -1.178 . . . . 0.0 111.265 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 51.5 t0 -57.47 -28.91 63.81 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.423 -1.423 . . . . 0.0 109.788 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.15 -56.06 5.35 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.694 -0.628 . . . . 0.0 110.775 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.46 -55.13 5.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.199 -0.938 . . . . 0.0 111.627 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.33 -25.85 1.77 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.239 -0.913 . . . . 0.0 108.537 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 13.2 m -80.01 -38.76 31.38 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.97 -16.99 54.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.462 HD13 HD22 ' B' ' 81' ' ' LEU . 25.4 mt -96.17 32.66 1.89 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.95 -40.07 87.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.663 -0.648 . . . . 0.0 110.711 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 53.5 m -64.62 -26.08 68.24 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.831 -1.168 . . . . 0.0 108.943 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 57.7 m-85 -70.27 -23.89 62.96 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.468 -1.293 . . . . 0.0 107.915 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 48' ' ' GLN . 10.6 mp -74.52 -1.1 19.89 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' B' ' 43' ' ' SER . 96.0 m-20 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.753 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.43 90.52 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.173 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 45' ' ' LEU . 25.7 mp0 -68.96 113.28 6.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.709 0.766 . . . . 0.0 110.547 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' B' ' 84' ' ' ALA . 32.4 mmtp -80.47 -70.05 0.55 Allowed 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.8 95.51 6.69 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-O 122.159 0.98 . . . . 0.0 110.489 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.8 63.88 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.769 -1.207 . . . . 0.0 108.742 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -70.64 -39.9 73.38 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.8 62.1 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.292 -0.88 . . . . 0.0 109.498 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.493 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.1 t -59.88 -37.83 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 47.8 t0 -60.04 -40.03 87.96 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.963 -0.461 . . . . 0.0 110.621 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -39.54 86.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.528 HD11 ' CB ' ' B' ' 80' ' ' ALA . 77.9 mt -60.07 -40.0 82.01 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.542 0.687 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttm -65.96 -35.96 82.03 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -60.02 -40.07 88.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.142 -0.974 . . . . 0.0 110.208 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' B' ' 77' ' ' LEU . 99.0 mt-10 -61.16 -40.04 92.37 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.253 -0.904 . . . . 0.0 110.525 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 30.2 mt -59.6 -27.44 66.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.109 -0.995 . . . . 0.0 109.168 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 57.4 t0 -85.69 -30.76 22.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.354 -0.841 . . . . 0.0 109.743 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.9 -40.03 91.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.352 -0.843 . . . . 0.0 108.807 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' B' ' 64' ' ' ASN . 13.6 p-10 -155.31 58.03 0.64 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -48.57 -27.57 6.09 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.57 0.05 57.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.485 -1.009 . . . . 0.0 109.563 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.96 -154.21 1.37 Allowed Glycine 0 N--CA 1.479 1.551 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -144.1 159.17 43.09 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.401 -1.058 . . . . 0.0 111.361 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.705 HG23 ' HB3' ' B' ' 27' ' ' LYS . 16.7 m -133.55 146.87 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.491 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 3.6 m-20 -128.73 -152.84 0.54 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.734 ' HZ ' HG22 ' A' ' 83' ' ' VAL . 9.0 p90 -59.51 -47.99 83.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.712 -0.617 . . . . 0.0 111.453 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.624 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 57.8 tt0 -70.09 -31.1 68.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.456 -1.402 . . . . 0.0 109.566 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 54.6 mp0 -83.57 -36.56 23.88 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.965 -1.084 . . . . 0.0 109.737 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.574 ' O ' HG23 ' B' ' 78' ' ' VAL . 8.9 t80 -70.05 -38.41 75.81 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 109.037 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 79' ' ' ALA . 53.3 t -77.2 -44.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.12 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.829 HG13 HG13 ' A' ' 76' ' ' VAL . 97.3 t -71.48 -40.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.343 -0.848 . . . . 0.0 110.515 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 57' ' ' ILE . 5.4 tp -72.09 -38.05 69.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 74' ' ' PHE . 75.6 t -69.57 -40.04 79.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.985 -1.072 . . . . 0.0 108.525 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.538 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -60.15 -39.89 87.94 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.528 ' CB ' HD11 ' B' ' 57' ' ' ILE . . . -59.97 -38.77 83.48 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.51 HD23 ' C ' ' B' ' 81' ' ' LEU . 10.0 tt -62.33 -39.9 94.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.383 -1.448 . . . . 0.0 109.021 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.0 m -59.49 -30.44 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 0.0 109.445 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.708 HG22 ' HZ ' ' A' ' 71' ' ' PHE . 55.6 t -59.23 -39.95 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.95 -20.36 65.82 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.773 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.668 ' O ' ' N ' ' B' ' 87' ' ' ASN . 12.1 t -148.75 70.54 1.12 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.801 -1.187 . . . . 0.0 107.89 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.52 56.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.668 ' N ' ' O ' ' B' ' 85' ' ' CYS . 35.1 t30 -51.38 138.82 20.74 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.949 0.88 . . . . 0.0 111.28 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -147.44 -70.07 0.23 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -90.52 -10.04 45.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.517 -0.739 . . . . 0.0 109.333 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -94.48 41.1 1.09 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 0.0 110.238 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.84 148.94 47.31 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.584 -0.698 . . . . 0.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.64 138.08 57.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 72.5 p . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.526 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.775 0 N-CA-C 118.865 2.306 . . . . 0.0 118.865 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 60.3 p -81.67 162.18 23.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -1.218 . . . . 0.0 109.432 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.15 -40.85 91.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.185 -0.947 . . . . 0.0 110.416 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -79.11 -50.25 11.32 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' H ' ' HG ' ' A' ' 2' ' ' SER . 89.1 tt0 -62.25 -39.57 93.29 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.0 109.948 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.09 -40.12 92.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.438 -0.789 . . . . 0.0 110.122 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.18 90.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 110.354 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.94 93.27 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.035 -1.041 . . . . 0.0 109.433 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.8 -38.06 86.7 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.137 -0.977 . . . . 0.0 109.678 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -59.75 -40.19 87.31 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 110.124 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 87.1 mt -60.14 -40.76 90.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.98 -1.075 . . . . 0.0 110.409 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.1 -40.65 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.423 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.22 -40.28 95.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 25.5 t -73.8 -31.46 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.745 -1.222 . . . . 0.0 110.893 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.0 m-30 -55.91 -39.83 72.19 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.57 ' O ' ' N ' ' A' ' 20' ' ' GLY . 7.2 m-70 -62.93 -24.99 68.12 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.87 -50.54 73.4 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.011 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -90.41 -14.79 32.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.228 -0.92 . . . . 0.0 111.382 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 m -137.76 11.75 2.92 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.679 -1.263 . . . . 0.0 111.718 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -83.41 -27.35 39.86 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -74.51 -13.28 60.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -1.191 . . . . 0.0 108.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.67 156.03 21.69 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.462 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.58 88.37 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -101.91 117.76 35.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.693 -0.887 . . . . 0.0 109.035 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.89 -19.98 61.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.782 -1.199 . . . . 0.0 109.325 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -51.67 168.04 0.09 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.845 -1.159 . . . . 0.0 108.133 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HB3' HG23 ' A' ' 69' ' ' VAL . 23.5 tptp -67.28 -80.33 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.978 -1.077 . . . . 0.0 109.744 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.18 -178.2 1.7 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 -178.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.462 ' H ' ' CD1' ' A' ' 28' ' ' LEU . 97.1 p -69.1 157.35 37.03 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -59.34 -48.28 82.24 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.695 -1.253 . . . . 0.0 112.304 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -60.55 -44.64 95.91 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 119.842 -1.786 . . . . 0.0 111.716 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.44 -40.83 73.53 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.663 -1.273 . . . . 0.0 108.858 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -48.93 -51.45 30.11 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.516 0.674 . . . . 0.0 109.755 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.694 ' N ' HD13 ' A' ' 33' ' ' LEU . 7.5 tptm -65.11 -40.23 94.23 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.552 -1.342 . . . . 0.0 111.913 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.65 -34.93 73.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.493 -1.38 . . . . 0.0 109.062 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 mt -72.25 -55.32 7.4 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.87 -42.45 63.65 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 119.601 -1.937 . . . . 0.0 111.245 -178.04 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -74.47 -39.79 62.27 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.435 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.03 -17.53 52.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.884 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 mt -100.98 32.95 2.99 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.141 -0.974 . . . . 0.0 108.653 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.585 0.707 . . . . 0.0 110.279 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -61.25 -26.82 68.02 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.517 -0.739 . . . . 0.0 110.087 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 32.2 m-85 -70.08 -19.91 63.24 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.78 -8.72 57.54 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' CG ' HG22 ' A' ' 47' ' ' VAL . 30.5 p-10 -48.91 -43.15 39.02 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.424 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.542 HG22 ' CG ' ' A' ' 46' ' ' ASP . 1.5 m -152.09 88.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.86 . . . . 0.0 109.275 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -68.43 111.36 4.62 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.022 -1.049 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.676 ' N ' ' O ' ' A' ' 84' ' ' ALA . 43.5 mmtm -79.53 -68.04 0.7 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -93.46 90.4 6.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 122.169 0.985 . . . . 0.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.57 -17.37 62.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.462 -0.774 . . . . 0.0 109.069 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.87 -38.41 76.39 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 121.626 -0.671 . . . . 0.0 109.605 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.55 60.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.213 -0.929 . . . . 0.0 109.96 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -58.61 -39.16 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.224 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.1 -40.56 90.1 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.26 0.552 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.2 -41.18 98.12 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.124 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 77' ' ' LEU . 77.6 mt -60.35 -41.02 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.611 -0.681 . . . . 0.0 109.74 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -56.68 -34.29 67.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.078 -1.014 . . . . 0.0 109.028 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.41 -39.78 91.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.04 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.48 -39.04 88.55 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.026 -1.046 . . . . 0.0 110.626 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 15.8 mt -69.64 -26.44 64.41 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 110.887 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -88.95 -37.04 15.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.552 -1.342 . . . . 0.0 110.305 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.4 -33.39 71.33 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLY . 26.5 m120 -145.5 45.59 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.396 -0.815 . . . . 0.0 109.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.26 -31.17 19.38 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.93 -0.3 56.81 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.474 -1.015 . . . . 0.0 108.484 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -65.57 -149.94 0.08 OUTLIER Glycine 0 N--CA 1.477 1.418 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -154.07 155.24 35.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.112 . . . . 0.0 110.967 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.698 HG21 ' HG ' ' A' ' 33' ' ' LEU . 23.0 m -133.82 153.27 36.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 15.7 m-20 -127.54 -158.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.575 -0.703 . . . . 0.0 109.449 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 33.3 p90 -59.48 -49.42 77.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.703 -0.623 . . . . 0.0 112.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.684 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.9 tt0 -69.99 -27.29 64.59 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.344 -1.472 . . . . 0.0 109.591 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 40.4 mt-10 -81.7 -38.97 24.98 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.756 0.789 . . . . 0.0 109.121 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -69.72 -38.51 76.92 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.461 -0.775 . . . . 0.0 109.228 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' B' ' 79' ' ' ALA . 54.7 t -73.34 -41.35 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.502 -0.749 . . . . 0.0 110.835 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG13 HG13 ' B' ' 76' ' ' VAL . 83.1 t -69.84 -40.61 79.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.147 -0.971 . . . . 0.0 109.46 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD11 HG23 ' A' ' 57' ' ' ILE . 8.9 tt -68.87 -38.03 79.46 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.417 -0.802 . . . . 0.0 110.545 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 74' ' ' PHE . 71.4 t -69.17 -40.17 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.903 -1.123 . . . . 0.0 109.282 -178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.578 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -61.17 -38.57 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.522 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD23 HG22 ' A' ' 54' ' ' VAL . 86.9 mt -65.23 -36.03 82.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.324 -1.485 . . . . 0.0 109.141 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -61.03 -36.84 80.61 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.086 -1.009 . . . . 0.0 109.462 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.85 -39.66 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -60.78 -24.58 65.88 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.404 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.649 ' C ' ' H ' ' A' ' 87' ' ' ASN . 18.1 t -144.46 60.68 1.34 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.497 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 9.4 p-10 -67.42 35.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.812 -1.18 . . . . 0.0 108.568 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.649 ' H ' ' C ' ' A' ' 85' ' ' CYS . 43.3 p-10 -60.44 140.98 56.98 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.253 0.549 . . . . 0.0 110.999 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 86' ' ' ASN . 97.7 m-85 -121.28 -46.01 2.31 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.444 -0.785 . . . . 0.0 109.232 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -91.44 -26.81 18.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.459 -0.776 . . . . 0.0 110.654 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.459 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 6.0 m-90 -85.35 29.31 0.68 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.713 -1.242 . . . . 0.0 110.365 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -73.85 142.08 46.09 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.5 -0.75 . . . . 0.0 109.463 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.17 138.8 54.43 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.921 -1.112 . . . . 0.0 109.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.73 -1.129 . . . . 0.0 109.612 -179.377 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.778 0 N-CA-C 119.635 2.614 . . . . 0.0 119.635 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 81.5 p -79.76 162.25 25.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.268 -1.136 . . . . 0.0 109.534 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.33 -40.72 91.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.473 -0.767 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.24 -49.82 11.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.576 -0.703 . . . . 0.0 110.581 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.53 ' H ' ' HG ' ' B' ' 2' ' ' SER . 87.9 tt0 -61.93 -40.03 94.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.96 -1.088 . . . . 0.0 109.914 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.54 -40.91 93.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.838 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.78 91.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.498 -0.751 . . . . 0.0 110.42 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.12 92.73 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.181 -0.949 . . . . 0.0 109.514 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.25 -37.96 84.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.694 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.7 m -59.84 -39.5 85.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.268 -0.895 . . . . 0.0 109.981 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.2 mt -60.54 -41.07 93.74 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.882 -1.136 . . . . 0.0 110.596 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.87 -42.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.017 -1.052 . . . . 0.0 110.233 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.84 -40.35 92.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.017 -1.052 . . . . 0.0 111.454 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' ALA . 25.4 t -73.58 -33.43 39.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 120.549 -1.344 . . . . 0.0 110.596 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.3 m-30 -54.11 -39.94 66.86 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 20' ' ' GLY . 6.1 m-70 -61.94 -26.8 68.41 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -59.8 -47.91 83.82 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.569 -1.332 . . . . 0.0 109.398 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -92.5 -14.14 28.83 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.965 -1.084 . . . . 0.0 111.168 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -138.5 11.85 2.75 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.132 -0.98 . . . . 0.0 111.54 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -83.31 -26.94 41.62 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -76.33 -13.18 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -1.171 . . . . 0.0 108.955 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.19 155.98 22.27 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.137 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.0 87.21 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -102.84 119.63 39.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -1.067 . . . . 0.0 109.192 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -73.04 -20.61 60.95 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.569 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -50.98 168.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.997 -1.064 . . . . 0.0 108.369 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HB3' HG23 ' B' ' 69' ' ' VAL . 23.6 tptp -68.35 -80.97 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.677 -1.265 . . . . 0.0 109.975 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.534 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -171.23 -178.81 2.49 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.106 -0.996 . . . . 0.0 109.231 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.47 ' H ' ' CD1' ' B' ' 28' ' ' LEU . 97.7 p -69.56 156.96 38.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -59.1 -49.17 78.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.431 -1.418 . . . . 0.0 112.359 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -59.91 -44.17 94.45 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.755 -1.841 . . . . 0.0 111.633 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.51 -41.05 73.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.539 -1.351 . . . . 0.0 109.102 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.706 HD21 HD11 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -49.12 -50.74 35.86 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.306 0.574 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.662 ' N ' HD13 ' B' ' 33' ' ' LEU . 6.9 tptm -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 120.762 -1.211 . . . . 0.0 111.424 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.738 -1.226 . . . . 0.0 109.4 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.52 -54.08 10.24 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.778 HD23 ' N ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -73.17 -42.4 62.79 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.018 -1.676 . . . . 0.0 111.243 -177.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.57 -29.17 67.76 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -74.45 -39.56 62.46 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.659 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.01 -19.11 48.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.494 -0.754 . . . . 0.0 109.268 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -99.53 32.84 2.66 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.196 -0.94 . . . . 0.0 109.053 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.085 -1.009 . . . . 0.0 110.365 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 85.1 p -63.31 -24.87 68.05 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.397 -0.815 . . . . 0.0 109.515 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.537 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 32.9 m-85 -71.13 -19.67 62.41 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.26 -7.17 54.32 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.558 ' CG ' HG22 ' B' ' 47' ' ' VAL . 29.5 p-10 -49.94 -43.77 50.06 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.237 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.558 HG22 ' CG ' ' B' ' 46' ' ' ASP . 1.2 m -151.84 89.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.876 -1.14 . . . . 0.0 109.041 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.97 111.89 5.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.937 . . . . 0.0 109.738 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.701 ' N ' ' O ' ' B' ' 84' ' ' ALA . 45.0 mmtm -79.83 -69.97 0.55 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.89 90.19 7.35 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 122.276 1.036 . . . . 0.0 109.995 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.85 62.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.59 -39.17 77.47 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.78 -0.575 . . . . 0.0 109.842 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.74 64.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.564 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -58.49 -39.07 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.43 -41.24 93.58 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.575 0.703 . . . . 0.0 110.196 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.58 -41.6 97.63 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.11 -0.994 . . . . 0.0 109.783 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' B' ' 80' ' ' ALA . 75.0 mt -60.14 -40.65 84.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.472 -0.768 . . . . 0.0 109.363 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -56.87 -35.55 69.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.129 -0.982 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.46 -40.5 91.43 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 110.567 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.62 -39.19 91.21 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.731 -1.231 . . . . 0.0 110.637 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 17.3 mt -69.47 -26.77 64.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.707 -1.245 . . . . 0.0 110.913 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -88.06 -37.95 15.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.672 -1.268 . . . . 0.0 110.501 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.59 0.71 . . . . 0.0 109.425 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -145.94 45.41 1.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.85 -32.39 18.38 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -86.19 -1.67 57.66 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.39 -150.24 0.08 OUTLIER Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -152.52 156.62 39.75 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.346 1.07 . . . . 0.0 111.071 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.689 HG21 ' HG ' ' B' ' 33' ' ' LEU . 17.3 m -134.42 153.51 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.593 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 14.7 m-20 -127.63 -158.0 0.85 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.717 0.77 . . . . 0.0 109.455 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 34.5 p90 -60.53 -49.44 77.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.898 -0.502 . . . . 0.0 111.882 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.692 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 65.4 tt0 -70.42 -26.49 63.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.336 -1.478 . . . . 0.0 109.364 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.593 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 43.0 mt-10 -81.67 -39.49 24.29 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.298 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.667 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.0 OUTLIER -69.12 -38.8 79.06 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.458 0.646 . . . . 0.0 109.352 179.138 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 79' ' ' ALA . 55.9 t -73.63 -41.16 55.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.276 -0.89 . . . . 0.0 110.862 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 72' ' ' GLN . 81.4 t -70.3 -39.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.432 HD11 HG23 ' B' ' 57' ' ' ILE . 10.0 tt -69.84 -38.44 76.52 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.849 -0.532 . . . . 0.0 110.219 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 74' ' ' PHE . 84.5 t -67.78 -40.62 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.751 -1.218 . . . . 0.0 108.734 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.612 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.11 -39.02 88.42 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.512 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.5 -38.9 85.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.431 -1.418 . . . . 0.0 108.999 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -60.37 -36.97 79.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.439 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.512 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -59.86 -39.02 78.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.701 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -60.9 -24.27 65.86 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 121.07 -1.019 . . . . 0.0 109.569 -179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.635 ' C ' ' H ' ' B' ' 87' ' ' ASN . 22.9 t -144.93 61.83 1.31 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.517 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 7.5 p-10 -67.88 35.44 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.635 ' H ' ' C ' ' B' ' 85' ' ' CYS . 41.8 p-10 -59.98 143.28 52.16 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.95 -178.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' B' ' 86' ' ' ASN . 97.3 m-85 -123.51 -45.13 2.08 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.761 -0.587 . . . . 0.0 109.593 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -93.74 -25.93 17.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.534 -0.729 . . . . 0.0 110.248 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.433 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 5.7 m-90 -85.13 28.93 0.68 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.903 -1.123 . . . . 0.0 110.071 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.04 141.56 47.64 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.843 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -68.31 138.88 55.81 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.273 -0.892 . . . . 0.0 109.043 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.699 -179.668 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.508 2.563 . . . . 0.0 119.508 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.809 ' CB ' ' HG3' ' B' ' 40' ' ' GLU . 19.8 m -85.35 166.02 16.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -1.117 . . . . 0.0 109.083 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -60.18 -49.83 76.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.914 -1.116 . . . . 0.0 110.55 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.5 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 69.5 mt -73.53 -40.84 63.7 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.766 -1.209 . . . . 0.0 110.495 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.758 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 87.6 tt0 -61.96 -41.97 98.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.006 -1.059 . . . . 0.0 110.339 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.5 m -62.85 -40.03 96.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 111.064 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.1 76.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.992 -1.068 . . . . 0.0 111.176 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 tpt -59.98 -43.32 95.19 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.22 -39.94 88.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.022 -1.049 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -39.02 84.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.643 . . . . 0.0 110.275 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 110.114 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.94 -46.08 94.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.889 -1.132 . . . . 0.0 110.098 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.04 -40.88 95.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 111.708 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.82 -40.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 120.359 -1.463 . . . . 0.0 110.953 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.96 -33.35 64.7 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 20' ' ' GLY . 42.8 t-80 -57.86 -31.68 66.93 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.86 39.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.3 -41.0 64.07 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.894 -1.129 . . . . 0.0 110.807 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 3.4 m -103.67 19.89 19.01 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.962 -1.086 . . . . 0.0 111.053 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -57.8 -4.67 1.63 Allowed Glycine 0 N--CA 1.486 2.01 0 C-N-CA 118.396 -1.859 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 19' ' ' SER . 75.2 mttt -71.91 128.82 36.95 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' GLY . 86.1 tt0 -56.18 -23.87 37.87 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . -47.96 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -102.21 100.31 10.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.38 -1.07 . . . . 0.0 109.691 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 26' ' ' TYR . 97.6 mttt -70.08 -28.54 65.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.928 -1.108 . . . . 0.0 109.086 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' LYS . 84.7 m-85 -47.85 173.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.537 -0.727 . . . . 0.0 109.047 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' O ' ' OG ' ' A' ' 19' ' ' SER . 26.7 tptt -54.21 -76.85 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.666 -1.271 . . . . 0.0 108.898 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 69' ' ' VAL . 7.6 tp -171.31 -178.86 2.48 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.369 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' LEU . 4.3 m -70.04 155.28 40.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.467 -1.396 . . . . 0.0 109.622 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -59.9 -45.16 93.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLY . 41.8 tptt -70.13 -41.61 73.68 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.15 -0.969 . . . . 0.0 109.29 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -69.97 -37.67 75.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 108.922 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.734 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.0 tm? -55.24 -44.62 75.68 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.063 -1.023 . . . . 0.0 109.353 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 61' ' ' LEU . 1.1 tppp? -66.63 -47.85 71.3 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.415 -1.428 . . . . 0.0 112.41 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 60.7 t0 -60.16 -40.09 88.69 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.444 -1.41 . . . . 0.0 110.047 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.77 -54.6 15.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.686 -0.634 . . . . 0.0 112.468 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD11 ' HE2' ' A' ' 74' ' ' PHE . 3.5 mm? -70.25 -39.97 74.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.636 -1.29 . . . . 0.0 111.722 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.47 -29.06 67.55 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.682 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -79.05 -43.69 23.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.812 ' HG3' ' CB ' ' B' ' 2' ' ' SER . 80.4 tt0 -60.34 -39.33 86.71 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 41.7 mt -89.83 37.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -48.11 -38.6 18.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 109.578 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 27.6 t -56.81 -16.22 6.19 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.505 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 16.6 t80 -50.89 -38.6 50.65 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.61 -11.7 54.65 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.607 ' CG ' HG22 ' A' ' 47' ' ' VAL . 15.2 p-10 -58.12 -42.82 86.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.447 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.607 HG22 ' CG ' ' A' ' 46' ' ' ASP . 6.7 m -159.43 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.242 -0.911 . . . . 0.0 110.174 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 9.3 pt20 -69.06 116.31 9.36 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.8 mmmp? -90.61 -80.12 0.34 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.382 -0.824 . . . . 0.0 110.526 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.62 101.09 11.91 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.034 -1.041 . . . . 0.0 110.276 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.56 60.83 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.97 -40.03 75.61 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.05 61.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.229 -0.919 . . . . 0.0 108.757 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -36.4 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.0 -41.3 91.79 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 121.525 -0.734 . . . . 0.0 109.471 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.6 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.38 -0.825 . . . . 0.0 109.115 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 80' ' ' ALA . 79.5 mt -60.0 -43.39 92.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.731 -0.606 . . . . 0.0 110.965 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.409 ' CE ' ' HZ3' ' A' ' 34' ' ' LYS . 25.0 mmt -60.55 -29.84 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 109.392 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -64.6 -40.06 94.83 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.36 -40.15 89.6 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.823 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 65' ' ' GLY . 4.6 mt -72.97 -26.9 61.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.928 -1.107 . . . . 0.0 109.181 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.93 -40.02 75.77 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.13 -39.85 87.72 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' ND2' ' CA ' ' A' ' 67' ' ' GLY . 64.0 t30 -154.24 70.81 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.95 -31.85 73.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 31.4 p-10 -84.58 0.59 49.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.996 . . . . 0.0 109.229 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' CA ' ' ND2' ' A' ' 64' ' ' ASN . . . -61.38 -149.71 0.01 OUTLIER Glycine 0 N--CA 1.48 1.569 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.31 159.84 43.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.467 -1.019 . . . . 0.0 110.153 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 28' ' ' LEU . 4.9 m -135.59 148.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 27.1 t0 -122.31 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.125 -0.985 . . . . 0.0 110.228 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -60.56 -49.14 78.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.586 -0.696 . . . . 0.0 111.355 -178.062 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.617 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 tm0? -70.25 -28.31 65.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.887 -1.133 . . . . 0.0 110.072 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 39.6 mt-10 -80.78 -35.14 33.56 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.288 -0.882 . . . . 0.0 108.695 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 78' ' ' VAL . 7.5 t80 -69.44 -39.12 78.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 109.185 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.476 HG13 HG13 ' B' ' 75' ' ' VAL . 53.2 t -75.1 -40.37 44.45 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.072 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.341 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 72' ' ' GLN . 69.1 t -72.48 -40.92 64.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 121.312 -0.867 . . . . 0.0 110.503 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.13 -39.9 68.47 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.491 -0.755 . . . . 0.0 110.384 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 74' ' ' PHE . 95.3 t -69.58 -39.37 78.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.93 -37.82 83.65 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.91 -23.34 63.21 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.93 0.871 . . . . 0.0 108.863 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 54' ' ' VAL . 2.9 tp -80.36 -35.98 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.647 -1.283 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' CYS . 83.6 m -69.93 -39.7 75.96 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.018 -1.051 . . . . 0.0 109.656 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.4 p -57.11 -37.17 54.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.29 -23.66 67.52 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.636 ' O ' ' N ' ' A' ' 87' ' ' ASN . 48.6 t -145.15 64.92 1.26 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.13 68.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.708 0.766 . . . . 0.0 110.211 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' CYS . 98.4 m-20 -60.14 132.95 55.52 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -134.75 -90.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 90' ' ' TRP . 47.2 p90 -80.1 -10.13 59.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.81 -1.181 . . . . 0.0 108.955 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.6 m-90 -73.22 48.43 0.23 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.284 -0.885 . . . . 0.0 109.405 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.76 138.86 58.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.234 -0.916 . . . . 0.0 109.381 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -71.4 129.96 40.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.67 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.392 179.867 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.88 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.812 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 19.6 m -85.53 166.11 16.55 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -1.15 . . . . 0.0 109.059 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -59.98 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.047 -1.033 . . . . 0.0 110.655 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.486 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 68.7 mt -73.48 -41.04 63.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.779 -1.201 . . . . 0.0 110.476 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.741 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 86.4 tt0 -61.38 -42.32 98.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.98 -1.075 . . . . 0.0 110.475 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.71 -40.05 95.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.01 77.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 111.184 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.92 -43.62 94.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.912 -1.117 . . . . 0.0 110.506 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -40.1 88.21 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.971 -1.081 . . . . 0.0 109.282 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.614 -0.679 . . . . 0.0 110.152 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.73 -40.03 86.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.118 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -45.95 95.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.881 -1.137 . . . . 0.0 110.13 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.25 -40.66 94.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.017 -1.052 . . . . 0.0 111.682 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' B' ' 17' ' ' ALA . 67.4 t -61.1 -39.93 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.342 -1.474 . . . . 0.0 110.9 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -55.9 -33.32 64.53 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' B' ' 20' ' ' GLY . 43.0 t-80 -57.76 -31.91 66.96 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -61.1 -54.48 44.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.45 -40.86 63.85 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.85 -1.156 . . . . 0.0 110.866 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 3.4 m -103.73 19.84 19.15 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.928 -1.107 . . . . 0.0 111.165 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -57.39 -4.95 1.44 Allowed Glycine 0 N--CA 1.486 1.972 0 C-N-CA 118.605 -1.76 . . . . 0.0 109.743 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' B' ' 19' ' ' SER . 79.9 mttt -71.73 128.95 37.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' B' ' 23' ' ' GLY . 86.4 tt0 -56.54 -23.84 42.8 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . -47.84 -90.93 0.01 OUTLIER Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.63 -1.788 . . . . 0.0 108.63 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -102.15 100.53 10.76 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.251 -1.146 . . . . 0.0 109.716 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 26' ' ' TYR . 97.7 mttt -70.04 -28.78 65.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.915 -1.116 . . . . 0.0 109.199 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.435 ' O ' ' O ' ' B' ' 25' ' ' LYS . 83.8 m-85 -47.96 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.45 -0.781 . . . . 0.0 109.122 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' O ' ' OG ' ' B' ' 19' ' ' SER . 27.0 tptt -54.07 -77.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.431 -1.308 . . . . 0.0 109.021 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.626 ' O ' HG22 ' B' ' 69' ' ' VAL . 7.6 tp -171.1 -178.52 2.47 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.407 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 33' ' ' LEU . 4.2 m -70.42 155.33 40.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.399 -1.438 . . . . 0.0 109.625 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.03 -44.81 94.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.972 -1.08 . . . . 0.0 108.785 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' GLY . 42.8 tptt -70.16 -41.89 73.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.276 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -69.94 -37.44 75.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.735 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.1 tm? -55.43 -44.6 76.44 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.083 -1.01 . . . . 0.0 109.268 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.428 ' HB2' ' CD1' ' B' ' 61' ' ' LEU . 1.2 tppp? -66.43 -48.25 70.6 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.454 -1.404 . . . . 0.0 112.329 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 61.0 t0 -60.19 -40.0 88.47 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.46 -1.4 . . . . 0.0 110.08 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.85 -54.4 15.89 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.637 -0.664 . . . . 0.0 112.446 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.413 HD11 ' HE2' ' B' ' 74' ' ' PHE . 3.5 mm? -70.42 -39.85 74.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.601 -1.312 . . . . 0.0 111.676 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -59.66 -28.82 67.59 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 119.368 -0.933 . . . . 0.0 108.7 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -79.04 -43.65 23.81 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.809 ' HG3' ' CB ' ' A' ' 2' ' ' SER . 78.9 tt0 -60.36 -39.29 86.66 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 44' ' ' PHE . 44.6 mt -89.99 37.49 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.2 t -47.97 -39.27 18.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.787 . . . . 0.0 109.577 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 27.2 t -56.74 -16.05 5.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 15.8 t80 -51.03 -38.82 53.75 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.97 -12.24 53.47 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.61 ' CG ' HG22 ' B' ' 47' ' ' VAL . 15.2 p-10 -57.98 -43.03 86.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.093 -1.004 . . . . 0.0 109.628 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.61 HG22 ' CG ' ' B' ' 46' ' ' ASP . 6.9 m -159.22 93.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.939 . . . . 0.0 110.114 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' B' ' 48' ' ' GLN . 8.8 pt20 -69.16 116.17 9.3 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' B' ' 84' ' ' ALA . 1.7 mmmp? -90.83 -80.0 0.35 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.424 -0.797 . . . . 0.0 110.461 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.47 101.21 12.09 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.083 -1.01 . . . . 0.0 110.185 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.68 -16.54 60.76 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.688 -0.633 . . . . 0.0 109.391 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.2 60.63 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.276 -0.89 . . . . 0.0 108.836 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.504 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.87 -36.48 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -41.15 91.87 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.579 -0.7 . . . . 0.0 109.335 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.76 -39.99 95.6 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.903 0.859 . . . . 0.0 109.103 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' B' ' 80' ' ' ALA . 78.4 mt -60.13 -43.08 92.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.611 -0.681 . . . . 0.0 111.009 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.73 -29.8 69.59 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.79 -40.03 94.58 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.508 -0.745 . . . . 0.0 110.291 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.34 -40.04 89.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.692 -1.255 . . . . 0.0 110.844 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 65' ' ' GLY . 4.6 mt -73.0 -26.88 61.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.928 -1.107 . . . . 0.0 109.11 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.1 -40.04 75.18 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.88 -40.1 87.53 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 64.1 t30 -154.16 70.59 0.81 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.95 -31.49 72.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 29.8 p-10 -84.79 0.49 50.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.447 -1.031 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.435 ' CA ' ' ND2' ' B' ' 64' ' ' ASN . . . -61.68 -149.43 0.02 OUTLIER Glycine 0 N--CA 1.481 1.647 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.25 159.9 43.12 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.478 -1.013 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.2 m -135.58 148.21 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 26.9 t0 -122.36 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.1 p90 -60.53 -49.22 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.591 -0.693 . . . . 0.0 111.37 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 9.7 tm0? -70.1 -28.54 65.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.899 -1.126 . . . . 0.0 110.096 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.495 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 37.8 mt-10 -80.82 -34.75 33.69 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.11 -0.994 . . . . 0.0 108.724 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.503 ' O ' HG23 ' B' ' 78' ' ' VAL . 6.2 t80 -69.89 -38.93 76.48 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.844 0.83 . . . . 0.0 109.171 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.476 HG13 HG13 ' A' ' 75' ' ' VAL . 50.3 t -75.24 -40.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.062 0 O-C-N 121.51 -0.744 . . . . 0.0 111.378 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.62 -40.74 62.71 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.144 -0.973 . . . . 0.0 110.565 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.28 -39.67 68.17 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 110.273 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 74' ' ' PHE . 89.6 t -69.99 -38.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.469 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.16 -37.77 84.08 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.589 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -70.06 -23.66 63.12 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.787 0.803 . . . . 0.0 108.886 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.46 HD12 HG22 ' B' ' 54' ' ' VAL . 3.7 tp -79.97 -35.94 36.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 109.429 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' C ' ' B' ' 85' ' ' CYS . 86.4 m -70.03 -39.92 75.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.965 -1.085 . . . . 0.0 109.613 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -56.55 -37.58 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.08 -23.48 67.46 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' B' ' 87' ' ' ASN . 48.6 t -145.6 64.74 1.24 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.04 67.92 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.714 0.768 . . . . 0.0 110.184 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.63 ' N ' ' O ' ' B' ' 85' ' ' CYS . 98.3 m-20 -59.95 133.13 55.8 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -134.69 -90.83 0.33 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' B' ' 90' ' ' TRP . 47.5 p90 -80.12 -9.98 59.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.79 -1.194 . . . . 0.0 108.995 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.537 ' CE2' ' CZ ' ' B' ' 89' ' ' PHE . 4.7 m-90 -73.23 47.98 0.22 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.135 -0.978 . . . . 0.0 109.469 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.42 139.39 58.76 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.286 -0.884 . . . . 0.0 109.526 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -72.11 130.2 40.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.649 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.403 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.967 0 N-CA-C 119.548 2.579 . . . . 0.0 119.548 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.952 ' CB ' ' OE2' ' B' ' 40' ' ' GLU . 72.2 p -81.19 164.43 22.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -1.114 . . . . 0.0 109.378 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.0 mp0 -60.31 -40.24 89.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.928 . . . . 0.0 109.956 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.688 ' HG ' ' CD2' ' B' ' 37' ' ' LEU . 2.8 mm? -78.39 -51.88 9.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.068 -1.02 . . . . 0.0 110.58 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.97 -39.92 87.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.28 -0.888 . . . . 0.0 109.416 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -39.97 87.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.217 -0.927 . . . . 0.0 109.929 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.69 89.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.236 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.76 91.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.098 -1.001 . . . . 0.0 109.468 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.97 -39.42 85.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 0.0 109.316 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -59.79 -37.58 79.52 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 80.0 mt -58.28 -36.38 73.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.443 -0.786 . . . . 0.0 109.305 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mm -60.05 -40.09 82.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 120.978 -1.077 . . . . 0.0 108.816 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.15 -28.47 65.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.186 -0.946 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.871 -1.143 . . . . 0.0 110.411 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' SER . 10.0 m-85 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.509 -0.745 . . . . 0.0 109.165 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.09 -39.25 85.48 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.89 4.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.317 -0.864 . . . . 0.0 112.527 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CG ' HD21 ' A' ' 36' ' ' LEU . 81.4 m-70 -102.26 -0.01 33.66 Favored 'General case' 0 N--CA 1.514 2.739 0 O-C-N 120.725 -1.234 . . . . 0.0 112.05 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.5 m -139.19 12.41 2.6 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.613 -1.305 . . . . 0.0 109.864 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 22' ' ' GLU . . . -80.38 9.62 47.91 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 23' ' ' GLY . 79.4 tttt -58.4 -9.76 1.75 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.224 -1.162 . . . . 0.0 108.308 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 20' ' ' GLY . 61.6 tt0 72.96 -15.63 0.51 Allowed 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.865 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -78.59 -70.32 1.32 Allowed Glycine 0 N--CA 1.489 2.189 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -99.83 95.01 6.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -1.012 . . . . 0.0 108.331 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.31 -39.93 77.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.413 -0.804 . . . . 0.0 109.6 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.8 p90 -54.16 165.61 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 43.9 tptt -50.76 -91.79 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.62 -1.3 . . . . 0.0 109.667 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 176.41 -176.27 0.12 Allowed 'General case' 0 N--CA 1.511 2.625 0 O-C-N 120.916 -1.115 . . . . 0.0 110.667 179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -49.3 144.55 5.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.684 -1.26 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HG2' HG13 ' A' ' 69' ' ' VAL . 12.3 mtmm -62.49 -42.04 99.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.481 -0.762 . . . . 0.0 112.2 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -62.91 -42.14 99.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.362 -1.461 . . . . 0.0 110.285 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.66 -31.35 68.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.055 -1.028 . . . . 0.0 109.364 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.735 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.1 tm? -59.99 -43.73 94.97 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 109.281 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HZ3' ' HG2' ' A' ' 58' ' ' MET . 3.9 tmtp? -66.22 -53.03 42.0 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.721 -1.237 . . . . 0.0 112.123 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.01 84.63 Favored 'General case' 0 C--N 1.289 -2.039 0 O-C-N 120.634 -1.291 . . . . 0.0 110.113 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 18' ' ' HIS . 61.0 tp -63.59 -56.46 15.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.562 -0.711 . . . . 0.0 112.229 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' B' ' 4' ' ' LEU . 87.7 mt -75.62 -35.82 60.38 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.396 -1.44 . . . . 0.0 112.366 -177.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -53.3 -32.83 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 120.869 -1.144 . . . . 0.0 108.376 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.9 m -73.65 -41.18 63.06 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.072 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.949 ' OE2' ' CB ' ' B' ' 2' ' ' SER . 33.0 tp10 -69.95 -38.56 76.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -0.818 . . . . 0.0 108.899 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD13 HD22 ' A' ' 81' ' ' LEU . 64.4 mt -87.36 34.15 0.69 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -60.17 -39.98 88.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.639 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 92' ' ' ASN . 39.6 t -58.61 -30.33 67.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.111 -0.993 . . . . 0.0 108.431 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.4 m-85 -69.74 -34.95 74.54 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.34 -1.5 4.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' PHE . 57.8 t0 -59.98 -42.61 94.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.0 108.915 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG2' HD22 ' A' ' 87' ' ' ASN . 2.5 m -150.65 87.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.234 -0.917 . . . . 0.0 109.714 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -68.93 117.86 11.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.176 -0.952 . . . . 0.0 108.931 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 84' ' ' ALA . 67.1 mmtt -80.01 -69.88 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -98.35 87.78 3.97 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.167 0.984 . . . . 0.0 108.371 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.55 64.83 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -68.28 -39.74 82.04 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.59 77.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.978 -1.076 . . . . 0.0 108.356 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.569 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.36 -35.53 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.9 -40.01 91.48 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.784 -0.572 . . . . 0.0 111.266 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 4.1 mptp? -67.76 -40.03 84.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.957 -1.09 . . . . 0.0 109.664 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.95 -41.51 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.494 ' HG2' ' HZ3' ' A' ' 34' ' ' LYS . 37.6 mtt -63.0 -25.82 68.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -60.36 -40.78 91.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 110.629 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 50.4 mp0 -70.39 -39.78 74.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -72.09 -23.63 61.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.045 -1.034 . . . . 0.0 110.162 -178.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.58 -30.24 18.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.587 -1.321 . . . . 0.0 109.257 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.599 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -83.59 -25.59 30.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.551 -0.718 . . . . 0.0 109.464 -179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.599 ' ND2' ' OE2' ' A' ' 63' ' ' GLU . 83.8 m-20 -139.66 37.74 2.02 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.98 -29.16 13.82 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -79.02 -5.04 52.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.409 -1.053 . . . . 0.0 109.38 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.86 -160.64 9.54 Favored Glycine 0 N--CA 1.475 1.261 0 N-CA-C 108.669 -1.773 . . . . 0.0 108.669 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.44 159.99 41.38 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.605 -0.938 . . . . 0.0 110.132 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG13 ' HG2' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -129.07 149.35 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 27.5 t0 -120.95 -161.8 0.92 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.418 -0.801 . . . . 0.0 109.994 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -60.06 -48.42 81.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.355 -0.84 . . . . 0.0 111.745 -177.458 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.777 ' OE1' ' HB ' ' B' ' 83' ' ' VAL . 62.1 tt0 -70.01 -29.15 66.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 109.49 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 27.1 mt-10 -77.36 -39.78 46.24 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.371 -0.831 . . . . 0.0 109.458 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -69.94 -35.0 74.17 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.493 -0.754 . . . . 0.0 109.116 179.725 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' B' ' 79' ' ' ALA . 46.2 t -73.39 -40.6 56.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.648 -0.657 . . . . 0.0 110.873 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.6 t -71.58 -40.07 70.78 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.523 -0.736 . . . . 0.0 110.254 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.0 tt -70.7 -40.18 73.01 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.71 -0.619 . . . . 0.0 110.7 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 74' ' ' PHE . 73.6 t -72.05 -40.05 66.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.642 -0.662 . . . . 0.0 110.054 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.79 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.21 -38.11 89.87 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.832 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 41' ' ' LEU . 7.3 tt -60.58 -40.15 90.67 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.893 -1.13 . . . . 0.0 109.789 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -60.01 -39.83 87.16 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.062 -1.023 . . . . 0.0 109.388 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.832 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.3 p -53.8 -33.39 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 108.869 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -67.43 -21.61 65.56 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.598 ' C ' ' H ' ' A' ' 87' ' ' ASN . 32.2 t -139.69 57.98 1.62 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -70.78 18.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.65 -1.281 . . . . 0.0 108.922 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.598 ' H ' ' C ' ' A' ' 85' ' ' CYS . 31.8 p-10 -58.49 131.26 50.22 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.119 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 89' ' ' PHE . 50.0 p90 -110.1 -39.26 5.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.146 -0.971 . . . . 0.0 108.651 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 55.9 t80 -69.92 -39.06 76.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.545 -0.722 . . . . 0.0 109.824 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.407 ' HB2' HD22 ' A' ' 87' ' ' ASN . 12.3 m-90 -88.95 43.47 1.15 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.075 -1.016 . . . . 0.0 110.525 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -94.71 108.61 20.6 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.475 ' N ' ' OG ' ' A' ' 43' ' ' SER . 29.4 m120 -79.53 154.58 28.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.045 -1.034 . . . . 0.0 109.544 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 117.905 -1.045 . . . . 0.0 109.289 -179.698 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.262 2.465 . . . . 0.0 119.262 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.949 ' CB ' ' OE2' ' A' ' 40' ' ' GLU . 67.4 p -81.15 164.49 22.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -1.139 . . . . 0.0 109.419 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 56.3 mp0 -60.56 -39.99 89.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 110.012 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -78.53 -51.64 9.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 110.659 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.274 -0.891 . . . . 0.0 109.428 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.09 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.902 . . . . 0.0 109.74 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.936 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -39.86 89.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.97 -39.48 85.83 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.275 -0.891 . . . . 0.0 109.472 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.75 -37.51 79.17 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.412 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 76.8 mt -58.67 -36.18 73.75 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.081 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.94 -40.14 82.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.838 -1.164 . . . . 0.0 108.817 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -70.03 -28.4 65.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.171 -0.955 . . . . 0.0 110.735 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.13 -49.31 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.789 -1.194 . . . . 0.0 110.503 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' B' ' 11' ' ' LEU . 10.1 m-85 -68.9 -27.3 65.65 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.408 -0.808 . . . . 0.0 109.112 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.11 -38.91 84.42 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.39 -58.08 4.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.118 -0.989 . . . . 0.0 112.367 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -101.89 -0.17 34.44 Favored 'General case' 0 N--CA 1.514 2.765 0 O-C-N 120.7 -1.25 . . . . 0.0 112.201 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.404 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.5 m -139.08 12.87 2.63 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.688 -1.258 . . . . 0.0 109.892 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' B' ' 22' ' ' GLU . . . -80.84 9.29 53.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' B' ' 23' ' ' GLY . 78.3 tttt -57.65 -10.09 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.153 -1.204 . . . . 0.0 108.265 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' B' ' 20' ' ' GLY . 61.5 tt0 73.31 -15.73 0.53 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.818 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -78.62 -70.56 1.31 Allowed Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -99.41 94.91 6.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -1.025 . . . . 0.0 108.418 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.26 -39.88 78.15 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 109.568 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 37.0 p90 -54.17 165.74 0.47 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 43.3 tptt -50.77 -91.44 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.539 -1.351 . . . . 0.0 109.637 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 176.09 -176.3 0.12 Allowed 'General case' 0 N--CA 1.514 2.726 0 O-C-N 120.876 -1.14 . . . . 0.0 110.657 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -49.07 144.83 4.54 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.727 -1.233 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.6 ' HG2' HG13 ' B' ' 69' ' ' VAL . 12.7 mtmm -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.402 -0.811 . . . . 0.0 112.219 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.9 -41.94 99.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.361 -1.462 . . . . 0.0 110.296 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.77 -31.45 68.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.072 -1.018 . . . . 0.0 109.391 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.724 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.1 tm? -59.79 -43.95 94.16 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.967 -1.083 . . . . 0.0 109.377 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.477 ' HZ3' ' HG2' ' B' ' 58' ' ' MET . 3.9 tmtp? -66.15 -53.07 42.16 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.725 -1.234 . . . . 0.0 112.164 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.89 -39.06 84.07 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 120.577 -1.327 . . . . 0.0 110.083 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.76 -56.3 16.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.547 -0.72 . . . . 0.0 112.2 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.688 ' CD2' ' HG ' ' A' ' 4' ' ' LEU . 90.2 mt -75.58 -36.2 60.42 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.297 -1.502 . . . . 0.0 112.419 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -53.17 -32.74 49.36 Favored 'General case' 0 C--N 1.284 -2.25 0 O-C-N 121.052 -1.03 . . . . 0.0 108.325 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 71.9 m -73.58 -41.15 63.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.488 -0.758 . . . . 0.0 108.992 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.952 ' OE2' ' CB ' ' A' ' 2' ' ' SER . 32.5 tp10 -70.1 -38.67 75.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 108.896 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.424 HD13 HD22 ' B' ' 81' ' ' LEU . 70.3 mt -87.2 34.05 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.824 . . . . 0.0 110.765 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' B' ' 92' ' ' ASN . 36.8 t -58.65 -30.64 67.47 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 47.2 m-85 -69.74 -34.42 73.82 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.85 -1.57 5.77 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' B' ' 44' ' ' PHE . 58.7 t0 -59.84 -42.59 93.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 108.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.449 ' CG2' HD22 ' B' ' 87' ' ' ASN . 2.6 m -150.79 87.47 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.0 109.828 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -68.97 117.92 11.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 108.857 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' B' ' 84' ' ' ALA . 67.6 mmtt -80.09 -70.01 0.55 Allowed 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -98.25 87.56 3.94 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 122.062 0.934 . . . . 0.0 108.518 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.0 -19.21 64.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -68.57 -39.72 80.88 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.45 77.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.037 -1.039 . . . . 0.0 108.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.578 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.38 -35.55 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.461 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -61.01 -40.05 92.09 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.433 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 4.1 mptp? -67.78 -39.7 84.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.791 -1.193 . . . . 0.0 109.672 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.02 -41.41 86.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.477 ' HG2' ' HZ3' ' B' ' 34' ' ' LYS . 37.4 mtt -63.26 -25.59 68.39 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.23 -0.918 . . . . 0.0 109.376 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -60.74 -40.27 91.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.289 -0.882 . . . . 0.0 110.652 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 50.8 mp0 -70.69 -39.62 73.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.764 -1.21 . . . . 0.0 111.003 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.49 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 0.4 OUTLIER -72.21 -23.64 61.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.077 -1.015 . . . . 0.0 110.05 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.54 -30.33 18.29 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.576 -1.327 . . . . 0.0 109.271 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.601 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -83.44 -25.75 30.95 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.441 -0.787 . . . . 0.0 109.426 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.601 ' ND2' ' OE2' ' B' ' 63' ' ' GLU . 84.2 m-20 -139.65 37.91 2.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -29.83 15.08 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -78.15 -5.32 51.32 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.407 -1.054 . . . . 0.0 109.463 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.92 -160.33 9.36 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -143.6 159.85 41.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.662 -0.905 . . . . 0.0 110.134 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.6 HG13 ' HG2' ' B' ' 30' ' ' LYS . 0.6 OUTLIER -128.88 149.48 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 27.8 t0 -121.06 -161.91 0.93 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.441 -0.787 . . . . 0.0 109.962 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -60.0 -48.33 82.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.358 -0.839 . . . . 0.0 111.853 -177.318 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.798 ' OE1' ' HB ' ' A' ' 83' ' ' VAL . 60.4 tt0 -70.02 -28.99 65.93 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.674 -1.266 . . . . 0.0 109.386 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.479 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 26.9 mt-10 -77.56 -39.72 44.88 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.293 -0.879 . . . . 0.0 109.443 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.408 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -69.99 -35.09 74.14 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.506 -0.746 . . . . 0.0 109.113 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.79 HG11 ' HB2' ' A' ' 79' ' ' ALA . 48.9 t -73.24 -40.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 CA-C-O 121.427 0.632 . . . . 0.0 110.763 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.1 t -71.6 -40.01 70.51 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.488 -0.758 . . . . 0.0 110.387 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.483 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.8 tt -70.63 -39.94 73.39 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.597 -0.689 . . . . 0.0 110.699 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 74' ' ' PHE . 73.9 t -72.37 -40.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.606 -0.684 . . . . 0.0 109.915 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.769 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -63.16 -37.97 89.31 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.829 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.424 HD22 HD13 ' B' ' 41' ' ' LEU . 7.3 tt -61.14 -39.95 92.01 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.889 -1.132 . . . . 0.0 109.872 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.7 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.006 -1.059 . . . . 0.0 109.373 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.829 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -53.47 -33.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.224 -0.923 . . . . 0.0 108.803 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.614 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -67.26 -21.48 65.72 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.576 ' C ' ' H ' ' B' ' 87' ' ' ASN . 32.7 t -140.1 57.95 1.6 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -70.96 19.35 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.67 -1.269 . . . . 0.0 108.818 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.576 ' H ' ' C ' ' B' ' 85' ' ' CYS . 31.5 p-10 -58.76 131.6 51.41 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.648 -0.658 . . . . 0.0 109.944 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' B' ' 89' ' ' PHE . 50.2 p90 -110.35 -39.31 4.99 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.289 -0.882 . . . . 0.0 108.683 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' B' ' 88' ' ' PHE . 56.3 t80 -70.01 -38.6 75.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 0.0 110.006 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.426 ' HB2' HD22 ' B' ' 87' ' ' ASN . 12.0 m-90 -89.23 43.73 1.17 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.194 -0.941 . . . . 0.0 110.41 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -95.27 107.96 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' B' ' 43' ' ' SER . 28.8 m120 -78.49 154.6 30.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.955 . . . . 0.0 109.672 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.341 -179.529 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.826 0 N-CA-C 119.641 2.616 . . . . 0.0 119.641 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -92.55 -0.2 57.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.109 -1.23 . . . . 0.0 110.041 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.049 -1.032 . . . . 0.0 108.717 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.75 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 31.3 mt -69.19 -39.99 78.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.568 -0.708 . . . . 0.0 109.439 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 88.7 tt0 -65.15 -39.97 93.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.75 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 110.0 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.01 -44.63 94.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.213 -0.929 . . . . 0.0 110.167 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.4 mmm -59.99 -38.88 83.87 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.156 -0.965 . . . . 0.0 109.976 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.462 -1.399 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -63.08 -37.94 89.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.425 -0.797 . . . . 0.0 108.961 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 7' ' ' ALA . 8.7 mp -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.429 -0.794 . . . . 0.0 109.332 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.15 -45.04 96.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.021 -1.049 . . . . 0.0 109.793 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.25 -45.7 92.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 112.005 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.65 -38.49 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.707 -1.246 . . . . 0.0 110.539 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.02 -39.62 82.47 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 20' ' ' GLY . 38.4 t-80 -60.01 -33.93 72.66 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.76 -0.588 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.96 -54.84 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.942 -1.099 . . . . 0.0 110.437 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -74.39 -40.37 62.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.722 -1.236 . . . . 0.0 110.397 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -80.05 -19.06 48.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -60.01 -40.12 96.58 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.268 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -76.67 -9.08 58.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.948 -1.324 . . . . 0.0 109.516 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -84.24 130.0 34.85 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.45 58.33 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -88.45 125.05 34.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.368 -1.078 . . . . 0.0 108.512 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.04 -29.27 68.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.632 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 4.0 m-85 -50.0 164.21 0.12 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 27.4 tptt -49.89 -89.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.704 -1.247 . . . . 0.0 108.78 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -179.8 -178.12 0.43 Allowed 'General case' 0 N--CA 1.512 2.641 0 O-C-N 120.877 -1.139 . . . . 0.0 111.738 178.705 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -53.25 148.86 7.89 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.426 -0.796 . . . . 0.0 111.181 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -60.09 -39.8 87.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.763 -0.586 . . . . 0.0 111.505 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.03 -42.56 94.63 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.983 -1.698 . . . . 0.0 108.566 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.661 HD11 HD11 ' A' ' 37' ' ' LEU . 2.7 tm? -48.61 -48.91 38.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.648 -0.658 . . . . 0.0 109.638 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -53.56 53.27 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.515 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -50.1 -29.94 10.0 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.355 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' A' ' 28' ' ' LEU . 85.8 mt -76.08 -58.12 3.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 111.862 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -60.04 -51.54 69.18 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.505 -1.372 . . . . 0.0 110.713 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -57.81 -20.22 34.21 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.252 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.66 -34.9 16.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.442 -0.786 . . . . 0.0 110.825 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.886 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 9.7 pt-20 -81.57 -10.04 59.54 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.806 -1.184 . . . . 0.0 109.456 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.9 mt -108.13 45.32 1.02 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 8.3 t -45.35 -36.15 4.01 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.736 -1.228 . . . . 0.0 109.972 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 28.6 t -70.82 -14.41 62.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.99 -1.069 . . . . 0.0 109.88 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -58.94 -45.73 89.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.269 -1.52 . . . . 0.0 108.577 -179.452 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -65.47 -8.92 21.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.822 -1.174 . . . . 0.0 108.43 179.2 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 43' ' ' SER . 49.4 t0 -60.11 -40.06 88.38 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.228 -0.92 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.2 p -164.26 75.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 111.634 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.85 122.57 19.51 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.635 -1.291 . . . . 0.0 108.256 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 84' ' ' ALA . 29.1 mtpt -107.46 -46.03 3.94 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.576 -0.702 . . . . 0.0 111.222 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.07 100.06 10.87 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.87 -1.144 . . . . 0.0 110.521 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -18.47 55.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.73 -0.606 . . . . 0.0 109.915 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.02 -39.85 75.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.434 -0.792 . . . . 0.0 109.588 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.24 63.0 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.988 -1.07 . . . . 0.0 108.333 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 84' ' ' ALA . 84.6 t -56.49 -39.0 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 48.3 t0 -60.1 -39.99 88.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -39.91 86.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.928 -1.108 . . . . 0.0 109.001 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 80' ' ' ALA . 74.4 mt -59.97 -42.55 89.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.017 -1.052 . . . . 0.0 109.228 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mmt -63.8 -24.24 67.68 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.722 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.99 -39.92 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 0.0 110.816 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -72.75 -39.72 66.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.688 -1.257 . . . . 0.0 110.728 -178.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.31 -22.29 48.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.556 -1.34 . . . . 0.0 110.031 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.36 -36.17 22.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.918 . . . . 0.0 108.866 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -26.66 51.25 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -154.01 60.69 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.73 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -34.51 83.86 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.46 -0.98 35.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -1.147 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.99 -146.6 0.18 Allowed Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.4 159.54 39.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.27 -1.135 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 28' ' ' LEU . 2.5 m -133.11 154.39 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 32.4 t0 -118.08 -164.15 0.99 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.325 -0.859 . . . . 0.0 109.659 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -59.99 -47.15 87.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.818 . . . . 0.0 111.129 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.577 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.2 tm0? -69.77 -32.91 71.67 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.179 -0.95 . . . . 0.0 109.649 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.507 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 79.0 mm-40 -69.97 -40.02 75.62 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 108.737 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.706 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.0 t80 -67.12 -33.69 76.0 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.845 0.831 . . . . 0.0 109.305 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.4 t -74.18 -40.01 50.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.045 -1.034 . . . . 0.0 111.207 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.68 -45.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 O-C-N 121.638 -0.664 . . . . 0.0 110.916 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.14 -35.41 74.03 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 74' ' ' PHE . 99.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.06 82.04 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HB3' HD11 ' A' ' 57' ' ' ILE . . . -65.16 -33.12 75.26 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.662 0.744 . . . . 0.0 109.2 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -67.59 -42.1 83.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.766 -1.209 . . . . 0.0 108.361 179.516 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 5.3 m -62.31 -36.41 82.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.806 -1.183 . . . . 0.0 109.263 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 t -50.08 -31.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -60.98 -40.15 92.35 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.592 ' C ' ' H ' ' A' ' 87' ' ' ASN . 19.7 p -128.45 47.47 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -61.89 2.92 0.18 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 85' ' ' CYS . 10.6 t-20 -55.11 118.06 4.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.673 -0.642 . . . . 0.0 110.107 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -80.37 -13.98 58.71 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.631 ' O ' ' N ' ' A' ' 91' ' ' GLU . 96.9 m-85 -90.88 6.02 46.2 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.568 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -59.89 46.42 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.759 -0.588 . . . . 0.0 111.526 -179.086 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 89' ' ' PHE . 86.1 tt0 -63.56 130.74 45.59 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.753 -1.217 . . . . 0.0 108.694 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -99.07 115.39 28.88 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.203 -0.936 . . . . 0.0 109.254 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.526 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.574 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.886 0 N-CA-C 119.59 2.596 . . . . 0.0 119.59 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -92.56 -0.19 57.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.191 -1.182 . . . . 0.0 109.972 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.999 -1.063 . . . . 0.0 108.697 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.795 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 28.4 mt -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.423 -0.798 . . . . 0.0 109.429 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.886 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 88.6 tt0 -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.79 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.33 -0.856 . . . . 0.0 109.918 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.435 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -59.9 -44.64 94.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 110.228 -179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -60.08 -38.81 84.01 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.086 -1.009 . . . . 0.0 109.876 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.511 -1.368 . . . . 0.0 108.633 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.15 -37.96 89.28 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 7' ' ' ALA . 8.7 mp -60.01 -39.97 87.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.77 . . . . 0.0 109.356 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.25 -45.03 96.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.04 -1.037 . . . . 0.0 109.805 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.1 -45.9 91.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.275 -0.891 . . . . 0.0 111.953 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.43 -38.61 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.74 -1.225 . . . . 0.0 110.563 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.09 -39.59 82.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' B' ' 20' ' ' GLY . 38.3 t-80 -59.97 -34.13 72.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.811 -0.556 . . . . 0.0 109.859 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.9 -54.94 40.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.966 -1.084 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.3 -40.06 62.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.599 -1.313 . . . . 0.0 110.433 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 m -80.28 -19.1 47.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 110.788 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.95 -40.16 96.55 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.686 -1.245 . . . . 0.0 110.243 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.444 ' HB3' ' HZ3' ' B' ' 21' ' ' LYS . 9.4 mmmm -76.66 -9.08 58.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.968 -1.313 . . . . 0.0 109.561 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -84.26 130.04 34.84 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.33 58.89 Favored Glycine 0 N--CA 1.485 1.964 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -88.37 125.06 34.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -1.061 . . . . 0.0 108.496 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.04 -29.34 68.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.292 -0.88 . . . . 0.0 109.679 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 4.0 m-85 -49.87 164.12 0.11 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.53 ' NZ ' ' CE2' ' B' ' 74' ' ' PHE . 27.8 tptt -49.82 -89.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.624 -1.298 . . . . 0.0 108.738 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -179.73 -178.23 0.44 Allowed 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.879 -1.138 . . . . 0.0 111.704 178.719 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -53.05 148.96 7.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.366 -0.834 . . . . 0.0 111.276 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.06 -39.81 87.32 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.71 -0.619 . . . . 0.0 111.511 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.1 -42.51 94.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.055 -1.653 . . . . 0.0 108.555 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.26 -39.96 74.66 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.645 HD11 HD11 ' B' ' 37' ' ' LEU . 2.6 tm? -48.76 -48.67 40.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.705 -0.622 . . . . 0.0 109.733 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -53.38 55.55 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.496 -1.281 . . . . 0.0 110.471 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -50.09 -29.95 10.01 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 118.764 -1.175 . . . . 0.0 110.465 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' B' ' 28' ' ' LEU . 87.9 mt -76.27 -58.0 3.54 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.177 -0.952 . . . . 0.0 111.884 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.65 HD13 HG22 ' B' ' 78' ' ' VAL . 0.3 OUTLIER -59.99 -51.54 69.24 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.512 -1.368 . . . . 0.0 110.77 -178.463 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -57.88 -20.08 34.19 Favored 'General case' 0 C--N 1.28 -2.438 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.379 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.73 -34.75 16.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 0.0 110.755 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.871 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 9.7 pt-20 -81.73 -10.04 59.48 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.849 -1.157 . . . . 0.0 109.342 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 42' ' ' SER . 87.8 mt -108.13 45.31 1.03 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 8.3 t -45.41 -36.27 4.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.751 -1.218 . . . . 0.0 109.913 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 23.8 t -70.55 -14.48 62.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.984 -1.072 . . . . 0.0 109.872 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER -58.87 -45.9 89.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.318 -1.488 . . . . 0.0 108.631 -179.419 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.5 OUTLIER -65.36 -9.01 21.16 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.797 -1.189 . . . . 0.0 108.435 179.204 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' B' ' 43' ' ' SER . 49.1 t0 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.552 HG13 ' O ' ' B' ' 47' ' ' VAL . 7.1 p -164.46 76.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.934 -1.104 . . . . 0.0 111.563 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.83 122.66 19.68 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 120.675 -1.265 . . . . 0.0 108.144 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' B' ' 84' ' ' ALA . 29.5 mtpt -107.59 -45.99 3.92 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.656 -0.652 . . . . 0.0 111.126 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.04 100.01 10.83 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.855 -1.153 . . . . 0.0 110.549 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.39 55.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.638 -0.663 . . . . 0.0 109.96 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.04 -40.03 75.37 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.448 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -50.42 62.66 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 108.331 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' B' ' 84' ' ' ALA . 81.6 t -56.4 -39.0 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' B' ' 55' ' ' ASP . 47.9 t0 -60.13 -40.07 88.46 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -40.0 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.866 -1.146 . . . . 0.0 109.013 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' B' ' 80' ' ' ALA . 74.2 mt -59.99 -42.57 90.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.061 -1.024 . . . . 0.0 109.257 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.7 -24.35 67.74 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.36 -0.837 . . . . 0.0 109.739 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.94 -40.04 83.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 110.776 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 0.9 OUTLIER -72.68 -39.85 66.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.625 -1.297 . . . . 0.0 110.78 -178.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' B' ' 61' ' ' LEU . 2.7 mt -78.32 -22.28 48.36 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.601 -1.312 . . . . 0.0 110.026 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -84.37 -36.09 22.71 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.219 -0.925 . . . . 0.0 108.833 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -26.41 51.12 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -154.31 60.87 0.7 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.416 -0.803 . . . . 0.0 109.707 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.93 -34.97 85.41 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.1 -1.08 34.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -1.063 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.04 -146.75 0.19 Allowed Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -155.19 159.47 40.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 0.0 110.609 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 28' ' ' LEU . 2.2 m -133.02 154.37 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 32.9 t0 -118.04 -164.05 0.99 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.341 -0.849 . . . . 0.0 109.664 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.0 p90 -60.12 -46.9 88.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.422 -0.799 . . . . 0.0 111.137 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.2 tm0? -70.02 -32.72 71.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.173 -0.954 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 79.5 mm-40 -70.06 -39.97 75.37 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.708 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.9 t80 -67.31 -33.79 76.0 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.854 0.835 . . . . 0.0 109.295 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 71' ' ' PHE . 54.6 t -73.99 -40.05 51.76 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.12 -0.988 . . . . 0.0 111.162 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.03 -44.87 74.92 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.562 -0.711 . . . . 0.0 111.002 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.39 -35.16 73.31 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.459 -0.775 . . . . 0.0 110.14 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 74' ' ' PHE . 98.6 t -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.95 . . . . 0.0 109.758 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.32 82.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.468 ' HB3' HD11 ' B' ' 57' ' ' ILE . . . -64.83 -33.25 75.56 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.621 0.724 . . . . 0.0 109.14 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -67.53 -42.19 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.753 -1.217 . . . . 0.0 108.44 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.406 ' O ' ' N ' ' B' ' 85' ' ' CYS . 5.1 m -62.27 -36.48 82.19 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.81 -1.181 . . . . 0.0 109.261 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 t -49.98 -32.17 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.67 -40.44 92.09 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.994 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.582 ' C ' ' H ' ' B' ' 87' ' ' ASN . 20.4 p -128.2 47.37 2.43 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -61.83 2.97 0.17 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.582 ' H ' ' C ' ' B' ' 85' ' ' CYS . 10.8 t-20 -55.27 117.89 3.92 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.114 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -80.2 -14.01 58.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' B' ' 91' ' ' GLU . 96.9 m-85 -90.94 6.16 45.78 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.57 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 0.1 OUTLIER -59.97 46.1 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -179.113 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 89' ' ' PHE . 83.7 tt0 -62.94 131.77 49.82 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.72 -1.238 . . . . 0.0 108.755 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -99.81 114.79 28.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.499 -179.845 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.935 0 N-CA-C 119.854 2.702 . . . . 0.0 119.854 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -99.72 157.75 16.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.254 -1.145 . . . . 0.0 109.487 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 111.127 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.96 -43.79 70.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.063 -1.023 . . . . 0.0 112.607 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -60.71 -37.01 80.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.416 -1.428 . . . . 0.0 109.672 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.93 -38.57 82.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.907 . . . . 0.0 108.968 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.65 76.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.827 . . . . 0.0 109.965 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -60.02 -40.89 90.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.008 -1.057 . . . . 0.0 110.607 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.772 -1.205 . . . . 0.0 109.994 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -63.57 -40.12 96.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.0 111.526 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.47 -40.11 90.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.921 -1.112 . . . . 0.0 110.35 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.84 -42.24 95.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.122 -0.986 . . . . 0.0 109.923 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -62.54 -43.03 99.83 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.274 -0.891 . . . . 0.0 111.833 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 t -69.93 -38.28 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.741 -1.224 . . . . 0.0 110.92 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.3 m-30 -55.39 -39.01 69.64 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.4 t-80 -59.63 -29.42 68.0 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.11 -56.47 21.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.823 -1.173 . . . . 0.0 110.095 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.4 -40.01 58.38 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.776 -1.203 . . . . 0.0 110.388 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' LYS . 71.6 m -101.76 19.99 17.13 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.159 -0.963 . . . . 0.0 111.374 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -49.42 -9.69 0.16 Allowed Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.518 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 19' ' ' SER . 88.0 tttt -65.42 119.88 11.82 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.04 87.96 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.746 -0.596 . . . . 0.0 109.903 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.55 -52.84 50.54 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -102.68 58.78 0.79 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.457 -1.025 . . . . 0.0 109.336 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.989 -1.069 . . . . 0.0 109.03 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m-85 -52.73 168.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.687 ' HB3' HG23 ' A' ' 69' ' ' VAL . 35.4 tptt -52.41 -93.39 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.445 -1.409 . . . . 0.0 109.247 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -179.96 -177.65 0.39 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.104 -1.623 . . . . 0.0 111.022 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p -46.63 146.86 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.831 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HB3' HD23 ' A' ' 61' ' ' LEU . 42.1 mtpt -60.05 -43.14 95.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.407 -0.808 . . . . 0.0 110.729 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.09 -40.96 91.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.731 -1.23 . . . . 0.0 111.561 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -81.72 -25.95 35.01 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.949 -1.094 . . . . 0.0 109.872 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -62.55 -44.46 96.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.537 -1.352 . . . . 0.0 109.373 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.988 ' N ' HD13 ' A' ' 33' ' ' LEU . 9.7 tttm -81.45 -31.91 32.84 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.478 -1.388 . . . . 0.0 111.101 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -65.35 -40.05 93.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.661 -1.275 . . . . 0.0 108.995 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.49 -55.28 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.489 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.617 HD21 ' CE2' ' A' ' 74' ' ' PHE . 7.4 mp -70.0 -22.92 63.08 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.653 -1.279 . . . . 0.0 109.271 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -60.0 -31.59 70.06 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -71.42 -43.06 67.45 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.331 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.1 -22.33 55.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.917 -1.114 . . . . 0.0 108.776 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -96.44 18.79 13.25 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 45' ' ' LEU . 58.2 m -60.03 -39.55 86.29 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.594 0.711 . . . . 0.0 109.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -80.1 -23.77 41.02 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.305 -0.872 . . . . 0.0 109.191 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 46' ' ' ASP . 8.1 m-85 -69.63 -58.67 3.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.328 -0.858 . . . . 0.0 109.771 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -67.38 11.14 0.13 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.751 -1.218 . . . . 0.0 108.902 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 44' ' ' PHE . 39.8 t0 -59.12 -39.32 81.95 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.486 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 10.5 m -125.8 55.59 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' VAL . 26.8 mt-30 -40.04 110.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 122.001 0.905 . . . . 0.0 110.619 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -79.96 -64.55 1.16 Allowed 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -98.5 99.23 10.37 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.129 -0.982 . . . . 0.0 108.598 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.6 -19.27 58.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.49 -0.756 . . . . 0.0 109.989 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -39.97 75.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.407 -0.808 . . . . 0.0 109.33 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.78 46.82 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 109.084 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.2 t -58.3 -38.28 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.93 87.51 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.239 0.542 . . . . 0.0 109.573 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -62.71 -39.99 95.76 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 109.25 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.406 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.7 mp -61.75 -43.04 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.56 -0.712 . . . . 0.0 109.996 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.99 -29.0 69.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.003 -1.06 . . . . 0.0 109.491 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -65.26 -40.0 93.4 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 110.49 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.57 -40.93 66.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.473 -1.392 . . . . 0.0 110.177 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 34' ' ' LYS . 14.4 mt -70.22 -26.48 63.88 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.49 -0.756 . . . . 0.0 110.977 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.65 -34.72 13.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.795 -1.191 . . . . 0.0 110.607 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -65.87 -37.73 86.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.79 56.26 1.14 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -57.71 -16.44 23.38 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 8.5 t0 -82.42 -7.85 59.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -1.047 . . . . 0.0 110.222 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.66 -145.65 0.07 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -156.23 159.94 39.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -1.118 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.723 HG21 ' HG ' ' A' ' 33' ' ' LEU . 15.2 m -135.49 151.57 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 28.2 t0 -129.08 -154.15 0.62 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.276 -0.89 . . . . 0.0 109.281 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 6.7 p90 -59.78 -47.46 85.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.505 -0.747 . . . . 0.0 111.356 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.1 tm0? -70.7 -32.01 69.07 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.581 -1.324 . . . . 0.0 110.242 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.8 mt-10 -83.54 -32.79 25.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.992 -1.067 . . . . 0.0 108.685 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.617 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.2 t80 -69.9 -39.24 76.34 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.04 0.924 . . . . 0.0 109.036 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' B' ' 79' ' ' ALA . 42.2 t -77.78 -44.53 28.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 O-C-N 121.62 -0.675 . . . . 0.0 111.527 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.601 HG13 HG13 ' B' ' 76' ' ' VAL . 61.4 t -71.47 -40.94 72.85 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 O-C-N 121.125 -0.984 . . . . 0.0 110.748 -177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.26 -39.99 71.24 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.334 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.3 t -71.62 -39.38 69.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.468 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.713 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -60.21 -39.99 88.55 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.188 0.994 . . . . 0.0 108.669 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.9 tt -61.51 -35.95 79.16 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.855 -1.153 . . . . 0.0 108.066 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ASN . 8.9 m -58.47 -31.0 67.41 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.344 -0.847 . . . . 0.0 109.104 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' B' ' 72' ' ' GLN . 55.6 t -59.98 -41.38 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.06 -1.025 . . . . 0.0 108.815 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.534 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.55 ' C ' ' H ' ' A' ' 87' ' ' ASN . 4.0 m -120.88 36.56 4.55 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 82' ' ' THR . 63.6 t30 -66.65 1.8 1.61 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.607 HD22 ' N ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -51.84 130.61 29.49 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.461 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -107.66 -32.88 7.48 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.406 -0.809 . . . . 0.0 109.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 45.5 p90 -91.19 -23.73 20.14 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.237 -0.914 . . . . 0.0 111.005 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER 36.05 75.79 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.658 -0.651 . . . . 0.0 110.167 -179.094 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -33.07 71.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.82 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -68.06 133.22 48.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.365 -0.834 . . . . 0.0 109.218 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.419 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.978 2.751 . . . . 0.0 119.978 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -99.89 157.55 16.44 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.103 -1.233 . . . . 0.0 109.464 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.33 -39.99 77.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.313 -0.867 . . . . 0.0 111.243 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.85 -43.95 70.86 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.11 -0.994 . . . . 0.0 112.565 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.8 -37.02 80.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.377 -1.452 . . . . 0.0 109.69 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -59.98 -38.5 82.72 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.263 -0.898 . . . . 0.0 108.945 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.73 -37.85 77.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -60.1 -41.1 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.947 -1.095 . . . . 0.0 110.411 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.86 -42.1 98.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.797 -1.19 . . . . 0.0 110.028 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.334 -0.854 . . . . 0.0 111.474 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.58 -39.91 89.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.827 -1.171 . . . . 0.0 110.46 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.05 -42.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.09 -1.006 . . . . 0.0 109.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.47 -42.83 99.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 111.923 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.93 -38.37 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.796 -1.19 . . . . 0.0 111.043 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.416 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.4 m-30 -55.32 -39.04 69.47 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.6 t-80 -59.8 -29.26 68.1 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.77 17.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.8 -1.187 . . . . 0.0 110.194 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.19 -39.95 59.76 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.904 -1.123 . . . . 0.0 110.444 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.523 ' O ' ' N ' ' B' ' 21' ' ' LYS . 73.3 m -101.8 20.03 17.11 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.112 -0.993 . . . . 0.0 111.324 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -49.35 -9.89 0.16 Allowed Glycine 0 N--CA 1.489 2.167 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.552 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' B' ' 19' ' ' SER . 87.9 tttt -65.24 120.03 11.99 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.762 -1.434 . . . . 0.0 107.153 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.029 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -52.84 51.0 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.63 58.99 0.79 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.482 -1.011 . . . . 0.0 109.362 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 108.965 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 3.3 m-85 -52.71 168.66 0.11 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.686 ' HB3' HG23 ' B' ' 69' ' ' VAL . 35.7 tptt -52.25 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.534 -1.354 . . . . 0.0 109.132 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.506 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -179.95 -177.41 0.38 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.174 -1.579 . . . . 0.0 111.019 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -46.63 146.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.147 -0.971 . . . . 0.0 109.807 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.463 ' HB3' HD23 ' B' ' 61' ' ' LEU . 42.4 mtpt -59.92 -43.37 94.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.445 -0.784 . . . . 0.0 110.705 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -41.09 91.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.785 -1.197 . . . . 0.0 111.483 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -81.9 -25.88 34.61 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.958 -1.089 . . . . 0.0 109.831 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.989 HD13 ' N ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -62.45 -44.4 96.5 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.543 -1.348 . . . . 0.0 109.429 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.989 ' N ' HD13 ' B' ' 33' ' ' LEU . 9.3 tttm -81.54 -31.85 32.52 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.39 -1.444 . . . . 0.0 111.055 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -65.35 -39.99 93.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.833 -1.167 . . . . 0.0 109.076 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.56 -55.38 13.66 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.451 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.636 HD21 ' CE2' ' B' ' 74' ' ' PHE . 7.3 mp -69.88 -23.21 63.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.778 -1.201 . . . . 0.0 109.343 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 26.2 tp60 -59.99 -31.19 69.69 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.9 m -71.76 -42.66 66.93 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.775 -0.578 . . . . 0.0 110.481 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -76.45 -22.01 55.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.805 -1.184 . . . . 0.0 108.694 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -97.04 19.53 12.7 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.42 ' O ' HD23 ' B' ' 45' ' ' LEU . 61.3 m -60.03 -39.9 87.46 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.704 0.764 . . . . 0.0 109.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -79.71 -24.13 41.88 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.281 -0.887 . . . . 0.0 109.164 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.534 ' C ' ' H ' ' B' ' 46' ' ' ASP . 8.5 m-85 -69.55 -58.69 3.64 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.746 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 42' ' ' SER . 1.3 pt? -67.01 10.56 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.811 -1.181 . . . . 0.0 108.865 179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 44' ' ' PHE . 39.8 t0 -58.91 -39.3 81.11 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.473 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 11.4 m -125.8 55.49 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' B' ' 47' ' ' VAL . 27.2 mt-30 -40.06 110.84 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.048 0.928 . . . . 0.0 110.515 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -79.88 -64.51 1.17 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.73 99.35 10.45 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.086 -1.009 . . . . 0.0 108.583 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.13 57.8 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.508 -0.745 . . . . 0.0 109.949 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.97 -39.95 75.68 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.37 -52.4 47.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 109.046 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.436 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.2 t -58.17 -38.45 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.0 87.3 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.251 0.548 . . . . 0.0 109.635 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.45 -40.09 95.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.35 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.414 HD11 ' HB1' ' B' ' 80' ' ' ALA . 1.7 mp -61.77 -43.05 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.025 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmt -61.14 -28.91 69.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.013 -1.054 . . . . 0.0 109.643 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -65.17 -40.16 93.93 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 110.334 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.27 -41.11 67.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.599 -1.313 . . . . 0.0 110.394 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 15.2 mt -70.0 -26.82 64.25 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.417 -0.802 . . . . 0.0 111.145 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.64 -34.3 13.34 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.913 -1.117 . . . . 0.0 110.641 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -66.15 -37.59 86.05 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.92 56.09 1.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -57.74 -16.26 22.73 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 8.5 t0 -82.49 -8.04 59.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.503 -0.998 . . . . 0.0 110.239 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -145.6 0.07 OUTLIER Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.12 160.02 39.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -1.186 . . . . 0.0 110.312 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.722 HG21 ' HG ' ' B' ' 33' ' ' LEU . 15.3 m -135.64 151.52 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 28.8 t0 -129.13 -154.38 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.275 -0.891 . . . . 0.0 109.344 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.637 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 6.5 p90 -59.45 -47.43 85.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 0.0 111.441 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.637 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.1 tm0? -70.62 -32.23 69.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.639 -1.288 . . . . 0.0 110.321 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.9 mt-10 -83.37 -32.99 25.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.158 -0.964 . . . . 0.0 108.718 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.636 ' CE2' HD21 ' B' ' 37' ' ' LEU . 15.8 t80 -69.99 -39.2 76.05 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.983 0.896 . . . . 0.0 108.984 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.713 HG11 ' HB2' ' A' ' 79' ' ' ALA . 42.1 t -78.03 -44.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 O-C-N 121.633 -0.667 . . . . 0.0 111.543 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.601 HG13 HG13 ' A' ' 76' ' ' VAL . 72.1 t -71.33 -41.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 O-C-N 121.047 -1.033 . . . . 0.0 110.743 -177.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 5.6 tp -71.37 -39.81 70.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.38 -0.825 . . . . 0.0 110.381 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 74' ' ' PHE . 59.7 t -71.56 -39.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.344 -0.848 . . . . 0.0 109.2 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.698 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -60.67 -38.59 85.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' HB1' HD11 ' B' ' 57' ' ' ILE . . . -60.0 -40.05 87.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 122.192 0.996 . . . . 0.0 108.693 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 81' ' ' LEU . 3.0 tt -61.64 -36.19 80.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.866 -1.146 . . . . 0.0 108.134 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 86' ' ' ASN . 9.0 m -58.1 -31.14 66.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.238 -0.914 . . . . 0.0 109.099 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 72' ' ' GLN . 49.7 t -59.98 -41.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.115 -0.99 . . . . 0.0 108.79 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -71.66 -27.08 62.82 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.366 -0.833 . . . . 0.0 109.516 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.541 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 3.9 m -120.92 36.66 4.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 82' ' ' THR . 64.0 t30 -66.52 1.97 1.49 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.611 ' N ' HD22 ' B' ' 87' ' ' ASN . 0.1 OUTLIER -52.07 130.5 30.14 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.478 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.47 -32.79 7.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.314 -0.866 . . . . 0.0 109.922 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 44.4 p90 -91.42 -23.61 19.98 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.206 -0.933 . . . . 0.0 110.968 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' B' ' 89' ' ' PHE . 0.9 OUTLIER 35.98 75.63 0.06 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.728 -0.608 . . . . 0.0 110.257 -179.133 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.97 -32.27 70.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.911 . . . . 0.0 109.836 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.52 133.54 48.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.151 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.376 -179.746 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.892 0 N-CA-C 119.44 2.536 . . . . 0.0 119.44 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.918 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 81.4 p -79.99 172.56 13.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -1.118 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.756 ' HB3' HG13 ' B' ' 14' ' ' VAL . 98.5 mt-10 -60.12 -51.3 70.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.851 . . . . 0.0 110.54 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' ' OE2' ' B' ' 40' ' ' GLU . 87.0 mt -71.95 -39.29 69.49 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.731 -1.231 . . . . 0.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.558 ' OE1' HD23 ' B' ' 41' ' ' LEU . 55.3 tp10 -60.02 -40.46 89.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.095 -1.003 . . . . 0.0 109.318 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.5 m -61.09 -40.0 92.05 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.06 89.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.359 -0.838 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.3 -41.33 93.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.834 -1.166 . . . . 0.0 110.563 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.46 -39.97 94.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.067 -1.021 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.7 m -65.83 -39.99 91.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 110.792 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.17 -40.05 88.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 110.575 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.051 -1.031 . . . . 0.0 110.079 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.84 -40.4 92.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.82 HG13 ' HB3' ' B' ' 3' ' ' GLU . 28.3 t -72.53 -39.43 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.473 -1.392 . . . . 0.0 111.117 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.5 m-30 -55.16 -37.0 66.43 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 20' ' ' GLY . 76.7 t60 -59.91 -30.53 69.1 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' CB ' ' OE1' ' B' ' 3' ' ' GLU . . . -58.66 -55.52 34.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.021 -1.05 . . . . 0.0 110.331 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' ND1' HD21 ' A' ' 36' ' ' LEU . 97.2 m-70 -74.68 -39.19 62.15 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.756 -1.215 . . . . 0.0 110.872 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.556 ' C ' ' H ' ' A' ' 21' ' ' LYS . 66.2 m -97.03 13.17 29.97 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.861 -1.149 . . . . 0.0 110.665 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -66.08 27.8 0.15 Allowed Glycine 0 N--CA 1.491 2.304 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.604 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' H ' ' C ' ' A' ' 19' ' ' SER . 13.8 tptm -70.86 -4.23 23.2 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.874 -1.368 . . . . 0.0 107.449 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 20' ' ' GLY . 64.7 tt0 66.54 -17.33 0.12 Allowed 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -79.43 -76.75 0.95 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 23.3 p-10 -99.77 99.86 10.73 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.46 -28.71 69.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.195 -0.941 . . . . 0.0 109.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -49.68 170.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.323 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.708 ' HB3' HG23 ' A' ' 69' ' ' VAL . 35.1 tptt -58.53 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.427 -1.309 . . . . 0.0 108.814 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.66 -177.44 0.12 Allowed 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.905 -1.122 . . . . 0.0 111.214 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -50.99 149.68 3.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.988 -1.07 . . . . 0.0 109.852 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 32.4 mtmm -62.62 -48.78 77.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.092 -1.005 . . . . 0.0 112.315 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -52.93 -47.13 68.26 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 119.706 -1.871 . . . . 0.0 111.24 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.26 -39.84 86.17 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 121.066 -1.021 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.711 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -53.63 -44.5 69.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.415 -0.803 . . . . 0.0 110.401 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 33' ' ' LEU . 2.4 ttmm -60.01 -45.45 92.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 119.832 -1.792 . . . . 0.0 109.438 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.12 -22.13 65.57 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.959 -1.088 . . . . 0.0 109.076 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD21 ' ND1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -73.62 -54.93 7.0 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.684 0.755 . . . . 0.0 111.078 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.79 HD13 HG22 ' A' ' 78' ' ' VAL . 7.2 mt -68.13 -48.7 64.69 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.036 -1.04 . . . . 0.0 112.936 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -62.74 -23.17 67.05 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-O 122.513 1.149 . . . . 0.0 108.238 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.65 -41.92 52.83 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.447 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.952 ' CG ' ' OG ' ' B' ' 2' ' ' SER . 49.1 tt0 -94.01 -1.71 54.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.636 -0.665 . . . . 0.0 109.691 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD23 ' OE1' ' B' ' 5' ' ' GLU . 68.3 mt -119.55 36.02 4.64 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.7 m -59.96 -40.13 87.98 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 111.274 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 38.5 t -62.31 -35.07 77.9 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.037 -1.039 . . . . 0.0 108.949 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.3 m-85 -60.21 -40.01 88.62 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.377 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.73 -8.8 11.43 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 43' ' ' SER . 89.6 m-20 -50.41 -30.53 12.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 109.182 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.6 p -159.67 98.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.179 -0.951 . . . . 0.0 110.284 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -70.4 112.95 7.07 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.993 -1.067 . . . . 0.0 109.865 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.8 -70.02 0.56 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.509 -0.744 . . . . 0.0 109.698 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.01 101.58 12.71 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 122.46 1.124 . . . . 0.0 110.425 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.77 -17.36 61.59 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.393 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.85 75.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.563 -0.711 . . . . 0.0 109.713 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -51.44 55.92 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.148 -0.97 . . . . 0.0 109.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -59.87 -37.06 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.94 -39.96 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.698 -0.626 . . . . 0.0 110.538 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.19 -39.76 86.42 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.956 -1.09 . . . . 0.0 109.517 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 80' ' ' ALA . 82.9 mt -59.93 -41.62 86.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 109.317 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.1 mmt -60.96 -31.96 71.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 109.107 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.2 -40.04 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.098 -1.001 . . . . 0.0 111.249 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.09 -39.56 86.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.495 -1.378 . . . . 0.0 109.631 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -59.9 -39.34 85.05 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.88 -0.512 . . . . 0.0 111.007 -178.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -86.83 -34.65 19.44 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.062 -1.024 . . . . 0.0 111.585 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -30.16 64.6 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.185 -0.947 . . . . 0.0 110.035 -178.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.511 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 45.1 t-20 -148.93 45.48 1.0 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.323 -0.861 . . . . 0.0 108.978 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.46 -30.7 12.91 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -79.67 -9.09 59.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.489 -1.006 . . . . 0.0 110.399 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . -64.29 -149.85 0.05 OUTLIER Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -158.31 159.98 36.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -1.072 . . . . 0.0 110.718 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 27' ' ' LYS . 3.3 m -130.6 151.16 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.555 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 6.5 m-20 -122.63 -158.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.426 -0.796 . . . . 0.0 109.555 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 40.9 p90 -60.13 -52.08 66.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.461 -0.774 . . . . 0.0 112.155 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.07 -30.02 67.17 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.915 -1.115 . . . . 0.0 109.318 -178.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.555 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 26.4 mt-10 -76.01 -36.81 59.0 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.739 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.737 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.446 -0.784 . . . . 0.0 109.055 179.256 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.31 -41.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.198 -0.939 . . . . 0.0 110.722 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.43 -41.35 78.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 HD21 ' CG2' ' A' ' 57' ' ' ILE . 7.6 tt -71.31 -39.42 71.45 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.679 -0.638 . . . . 0.0 110.188 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.79 HG22 HD13 ' A' ' 37' ' ' LEU . 94.2 t -68.95 -40.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.002 -1.061 . . . . 0.0 108.495 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.79 -39.86 90.47 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.3 tt -64.39 -36.31 83.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.249 . . . . 0.0 108.517 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' ASN . 3.3 m -58.04 -35.09 70.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 108.965 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -41.18 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.394 -0.817 . . . . 0.0 108.903 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.97 -20.97 63.28 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.615 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.681 ' C ' ' H ' ' A' ' 87' ' ' ASN . 54.3 m -134.01 45.72 2.6 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.543 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 12.3 p30 -63.85 31.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.149 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.681 ' H ' ' C ' ' A' ' 85' ' ' CYS . 43.8 p-10 -59.73 145.06 46.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.445 -0.785 . . . . 0.0 110.324 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 86' ' ' ASN . 82.6 m-85 -135.93 -33.69 0.84 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.479 -0.763 . . . . 0.0 109.116 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -92.71 -27.6 17.15 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.389 -0.819 . . . . 0.0 110.442 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -81.95 52.94 2.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.794 -1.191 . . . . 0.0 109.744 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.7 141.89 53.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 108.849 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -80.24 -8.05 59.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.938 . . . . 0.0 109.712 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.697 -179.698 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.937 0 N-CA-C 119.158 2.423 . . . . 0.0 119.158 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.952 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 80.8 p -79.98 172.41 13.81 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.192 -1.181 . . . . 0.0 109.94 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.82 ' HB3' HG13 ' A' ' 14' ' ' VAL . 99.0 mt-10 -60.0 -51.32 70.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.361 -0.837 . . . . 0.0 110.602 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.81 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 89.8 mt -72.1 -39.09 69.18 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.694 -1.254 . . . . 0.0 109.903 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.563 ' OE1' HD23 ' A' ' 41' ' ' LEU . 55.3 tp10 -59.95 -40.9 90.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.87 -40.05 91.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.108 -0.995 . . . . 0.0 109.588 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.12 88.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.804 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.53 -41.29 94.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.878 -1.139 . . . . 0.0 110.468 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 110.452 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -65.61 -40.18 92.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.312 -0.868 . . . . 0.0 110.51 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.01 -40.14 88.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.005 -1.059 . . . . 0.0 110.659 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -42.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 120.894 -1.129 . . . . 0.0 110.122 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -60.83 -41.02 94.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 111.319 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.756 HG13 ' HB3' ' A' ' 3' ' ' GLU . 33.8 t -72.33 -39.36 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.639 -1.288 . . . . 0.0 111.271 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.09 -37.18 66.5 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 74.8 t60 -59.59 -30.8 68.92 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' OE1' ' A' ' 3' ' ' GLU . . . -58.5 -55.5 34.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.123 -0.986 . . . . 0.0 110.444 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.537 ' ND1' HD21 ' B' ' 36' ' ' LEU . 96.9 m-70 -75.04 -38.9 61.29 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.735 -1.228 . . . . 0.0 110.812 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.547 ' C ' ' H ' ' B' ' 21' ' ' LYS . 69.6 m -96.82 12.56 31.68 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.935 -1.103 . . . . 0.0 110.668 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -65.97 27.47 0.15 Allowed Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.889 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' B' ' 19' ' ' SER . 14.2 tptm -70.82 -4.05 22.12 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.872 -1.369 . . . . 0.0 107.466 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' B' ' 20' ' ' GLY . 66.1 tt0 66.39 -17.37 0.12 Allowed 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.015 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -79.45 -76.74 0.95 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 23.3 p-10 -99.77 99.73 10.59 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.402 -1.058 . . . . 0.0 108.347 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -64.37 -28.71 69.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.0 109.354 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -49.67 170.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' B' ' 69' ' ' VAL . 34.7 tptt -58.4 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.408 -1.317 . . . . 0.0 108.795 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 175.03 -177.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.883 -1.136 . . . . 0.0 111.228 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -51.19 149.53 3.81 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.973 -1.08 . . . . 0.0 109.948 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 31.7 mtmm -62.23 -49.11 77.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.091 -1.006 . . . . 0.0 112.306 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -52.68 -46.91 67.44 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 119.736 -1.853 . . . . 0.0 111.268 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.98 -39.04 83.38 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.06 -1.025 . . . . 0.0 109.341 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.711 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.4 tm? -54.23 -44.27 71.56 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.443 -0.786 . . . . 0.0 110.339 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.463 ' N ' HD13 ' B' ' 33' ' ' LEU . 2.3 ttmm -60.03 -45.66 92.07 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.0 -1.688 . . . . 0.0 109.414 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.15 -22.13 65.62 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.951 -1.093 . . . . 0.0 108.957 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.537 HD21 ' ND1' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -73.43 -54.71 7.63 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.654 0.74 . . . . 0.0 111.218 -178.784 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.78 HD13 HG22 ' B' ' 78' ' ' VAL . 7.5 mt -68.43 -48.74 63.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.052 -1.03 . . . . 0.0 112.785 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -62.7 -23.11 66.98 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.526 1.155 . . . . 0.0 108.23 -177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.76 -41.49 52.97 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.509 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.918 ' CG ' ' OG ' ' A' ' 2' ' ' SER . 46.2 tt0 -93.88 -2.52 53.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.547 -0.721 . . . . 0.0 109.606 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.558 HD23 ' OE1' ' A' ' 5' ' ' GLU . 69.6 mt -119.22 36.43 4.47 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -60.08 -39.98 87.99 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.446 -0.784 . . . . 0.0 111.223 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 47.0 t -62.99 -34.45 77.58 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 108.951 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.441 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.1 m-85 -60.69 -39.98 90.49 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.17 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -9.31 11.05 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' B' ' 43' ' ' SER . 89.5 m-20 -50.09 -30.37 10.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.001 -1.062 . . . . 0.0 109.33 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.615 HG13 ' O ' ' B' ' 47' ' ' VAL . 7.3 p -159.96 98.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.09 -1.006 . . . . 0.0 110.356 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -70.38 113.01 7.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.064 -1.023 . . . . 0.0 109.799 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.646 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.2 mmmp? -81.01 -69.97 0.57 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.52 -0.738 . . . . 0.0 109.623 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -100.03 101.66 12.79 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.55 1.167 . . . . 0.0 110.4 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -17.56 61.55 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.507 -0.745 . . . . 0.0 109.312 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.93 -40.04 75.75 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.568 -0.708 . . . . 0.0 109.676 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -51.3 57.62 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.188 -0.945 . . . . 0.0 109.202 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.0 OUTLIER -60.03 -36.97 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.694 -0.629 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.44 -39.42 85.39 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.975 -1.078 . . . . 0.0 109.416 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.497 HD11 ' CB ' ' B' ' 80' ' ' ALA . 83.0 mt -59.95 -41.78 87.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.601 -0.687 . . . . 0.0 109.481 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.2 mmt -61.01 -32.05 71.65 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.059 -1.026 . . . . 0.0 109.135 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.199 -0.938 . . . . 0.0 111.282 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.12 -39.64 86.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.57 -1.331 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' B' ' 30' ' ' LYS . 0.8 OUTLIER -59.96 -39.27 85.04 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.82 -0.55 . . . . 0.0 111.071 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.98 -34.54 19.24 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.053 . . . . 0.0 111.531 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -30.3 64.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.19 -0.944 . . . . 0.0 110.035 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.481 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 45.5 t-20 -148.76 45.5 1.02 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 108.915 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -30.4 13.19 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -79.84 -9.01 59.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.496 -1.002 . . . . 0.0 110.414 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . -64.41 -149.53 0.05 OUTLIER Glycine 0 N--CA 1.481 1.696 0 N-CA-C 109.139 -1.585 . . . . 0.0 109.139 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -158.41 160.02 36.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.401 -1.058 . . . . 0.0 110.711 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.683 HG23 ' HB3' ' B' ' 27' ' ' LYS . 2.9 m -130.44 151.36 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 7.9 m-20 -122.82 -158.41 0.79 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.522 -0.736 . . . . 0.0 109.643 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 40.4 p90 -60.46 -51.99 67.11 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.415 -0.803 . . . . 0.0 112.11 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -69.97 -30.03 67.29 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.026 -1.046 . . . . 0.0 109.36 -179.097 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.557 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 24.7 mt-10 -76.62 -36.55 57.38 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.399 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.74 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.7 OUTLIER -69.97 -34.56 73.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.41 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.6 t -74.2 -41.39 51.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.166 -0.959 . . . . 0.0 110.62 -178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.8 t -70.39 -41.64 78.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.161 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.443 HD21 ' CG2' ' B' ' 57' ' ' ILE . 7.5 tt -71.04 -39.45 72.27 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.734 -0.604 . . . . 0.0 110.305 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.78 HG22 HD13 ' B' ' 37' ' ' LEU . 92.9 t -69.03 -39.9 80.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.584 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.82 90.76 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.497 ' CB ' HD11 ' B' ' 57' ' ' ILE . . . -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.4 tt -64.63 -36.88 85.68 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.705 -1.247 . . . . 0.0 108.49 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.45 ' O ' ' N ' ' B' ' 86' ' ' ASN . 3.1 m -57.5 -35.05 69.72 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 109.114 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.1 -41.25 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.339 -0.851 . . . . 0.0 108.712 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.96 -21.06 63.29 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.606 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.67 ' C ' ' H ' ' B' ' 87' ' ' ASN . 52.3 m -133.8 45.68 2.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.543 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 12.1 p30 -63.74 31.49 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.11 -0.994 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.67 ' H ' ' C ' ' B' ' 85' ' ' CYS . 44.0 p-10 -59.66 144.97 46.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.447 -0.783 . . . . 0.0 110.462 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 86' ' ' ASN . 84.0 m-85 -135.81 -34.13 0.83 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -92.52 -26.99 17.68 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.256 -0.902 . . . . 0.0 110.566 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 28.0 m-90 -82.35 52.24 2.0 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.824 -1.172 . . . . 0.0 109.709 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.85 141.98 54.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 108.879 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -80.23 -8.04 59.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.968 . . . . 0.0 109.675 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.705 -179.631 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.623 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 52.3 p -80.7 169.22 17.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.698 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -61.11 -50.23 74.08 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.201 -0.937 . . . . 0.0 111.265 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' B' ' 14' ' ' VAL . 64.6 mt -77.03 -40.82 45.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.534 -1.354 . . . . 0.0 110.526 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.507 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 88.7 tt0 -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.948 -1.095 . . . . 0.0 110.039 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -40.02 88.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.234 -0.916 . . . . 0.0 110.406 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.557 ' CB ' HD21 ' B' ' 11' ' ' LEU . . . -68.38 -40.31 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.347 -0.845 . . . . 0.0 111.263 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 tpt -61.01 -41.35 96.38 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.939 -1.1 . . . . 0.0 110.522 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.24 -40.02 96.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.091 -1.006 . . . . 0.0 109.955 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.5 m -63.43 -40.08 96.19 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.369 -0.832 . . . . 0.0 110.281 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD21 ' CB ' ' B' ' 7' ' ' ALA . 94.3 mt -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.06 -1.025 . . . . 0.0 110.742 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.19 -43.94 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.04 -40.31 88.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.313 -0.867 . . . . 0.0 110.898 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' B' ' 4' ' ' LEU . 61.0 t -66.5 -39.4 83.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 120.707 -1.246 . . . . 0.0 110.418 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 5.4 m-30 -50.84 -38.37 48.58 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.732 -1.23 . . . . 0.0 107.699 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 74.2 t60 -60.01 -35.68 75.59 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.73 -58.58 7.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.091 . . . . 0.0 110.549 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.56 -40.05 64.23 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.545 -1.347 . . . . 0.0 110.756 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 51.0 m -84.56 -6.56 59.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.017 -1.052 . . . . 0.0 111.205 -178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -58.33 -39.97 93.41 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -76.24 -12.68 60.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.001 -1.293 . . . . 0.0 109.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -78.08 141.22 38.94 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.36 -32.38 72.37 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -98.67 128.75 45.05 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.266 -1.137 . . . . 0.0 109.44 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' TYR . 4.4 mptp? -62.33 -32.11 72.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.207 -0.933 . . . . 0.0 109.491 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.0 m-85 -48.74 170.3 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HB3' HG23 ' A' ' 69' ' ' VAL . 47.5 tptt -50.55 -94.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.229 -1.389 . . . . 0.0 109.493 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' O ' HG22 ' A' ' 69' ' ' VAL . 1.4 pp 179.39 -178.8 0.38 Allowed 'General case' 0 N--CA 1.514 2.756 0 O-C-N 120.64 -1.287 . . . . 0.0 111.956 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -43.91 155.1 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.32 -0.862 . . . . 0.0 111.847 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.763 ' O ' HD23 ' A' ' 61' ' ' LEU . 2.3 mmmm -66.72 -54.1 26.55 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.26 -43.96 95.71 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 119.59 -1.944 . . . . 0.0 111.975 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -69.8 -31.57 69.56 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.738 -1.227 . . . . 0.0 108.757 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -59.97 -44.1 94.67 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.948 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.979 ' NZ ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -65.28 -55.54 17.78 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.75 -1.219 . . . . 0.0 111.734 -178.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.83 -27.63 52.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.34 -1.475 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -52.82 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 111.831 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.728 HD23 HG22 ' A' ' 78' ' ' VAL . 6.0 mp -69.21 -45.36 70.06 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.615 -1.303 . . . . 0.0 112.693 -176.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.83 -26.69 67.51 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.542 -1.348 . . . . 0.0 107.618 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.01 -39.97 54.61 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.075 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.625 ' CG ' ' OG ' ' B' ' 2' ' ' SER . 81.0 tt0 -79.3 -5.83 55.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.7 49.77 1.01 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -54.14 -37.84 64.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 0.0 110.091 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 36.0 t -56.88 -17.93 11.25 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CD2' ' SG ' ' A' ' 85' ' ' CYS . 30.7 t80 -60.05 -40.05 88.11 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.95 -14.13 62.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.563 ' O ' HG13 ' A' ' 47' ' ' VAL . 9.3 t70 -59.97 -45.89 91.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.408 -0.807 . . . . 0.0 109.891 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.69 ' CG2' HD22 ' A' ' 87' ' ' ASN . 2.1 m -158.38 97.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.963 -1.086 . . . . 0.0 110.93 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 8.4 mp0 -70.07 119.86 14.91 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.686 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.3 mmmm -91.44 -79.92 0.36 Allowed 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.9 -0.5 . . . . 0.0 110.524 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.56 98.95 9.2 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.907 -1.12 . . . . 0.0 109.887 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.8 -18.87 61.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.461 -0.774 . . . . 0.0 110.021 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -39.97 75.35 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.607 -0.683 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -50.77 65.43 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -59.56 -38.23 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.057 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -58.87 -39.99 83.02 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.139 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.4 -39.98 89.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.884 -1.135 . . . . 0.0 109.98 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.727 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.3 mp -60.03 -43.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 120.934 -1.104 . . . . 0.0 108.574 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mpt? -58.89 -24.7 62.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.624 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 10.0 mtpm? -66.69 -39.97 88.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.706 -1.246 . . . . 0.0 110.347 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 64' ' ' ASN . 96.4 mt-10 -67.3 -39.9 85.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.523 -1.36 . . . . 0.0 111.992 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.979 HD13 ' NZ ' ' A' ' 34' ' ' LYS . 3.0 mp -75.0 -33.12 61.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.469 -1.395 . . . . 0.0 109.934 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.0 -38.01 75.87 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.601 -1.312 . . . . 0.0 108.405 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 11.5 mm-40 -61.23 -39.99 92.35 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.655 0.741 . . . . 0.0 109.434 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 51.6 p30 -148.25 61.56 1.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -50.0 -29.99 15.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.046 -1.621 . . . . 0.0 109.046 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -79.94 2.11 24.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.738 -0.86 . . . . 0.0 109.688 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.94 -149.41 0.27 Allowed Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -160.21 160.41 32.73 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.165 -1.197 . . . . 0.0 110.926 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.701 HG21 ' HG ' ' A' ' 33' ' ' LEU . 7.0 m -129.26 155.25 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 10.9 m-20 -128.12 -160.0 0.99 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.221 -0.925 . . . . 0.0 109.605 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.72 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 43.0 p90 -60.04 -51.48 69.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.603 -0.686 . . . . 0.0 111.514 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.72 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.34 -27.76 64.61 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.733 -1.23 . . . . 0.0 109.574 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 39.7 tt0 -81.92 -34.69 29.78 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.352 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.5 t80 -69.93 -38.87 76.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.975 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.25 -43.41 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.229 -0.92 . . . . 0.0 110.848 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 HG13 ' B' ' 76' ' ' VAL . 57.2 t -68.62 -40.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.421 -0.799 . . . . 0.0 109.988 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.4 tp -69.58 -40.04 76.98 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.38 -0.825 . . . . 0.0 109.167 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 74' ' ' PHE . 75.9 t -61.71 -42.25 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.558 -0.714 . . . . 0.0 109.73 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' B' ' 72' ' ' GLN . . . -64.23 -34.77 78.87 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.727 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -60.02 -40.36 89.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.492 0.663 . . . . 0.0 109.475 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.22 -39.96 86.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.524 -1.36 . . . . 0.0 107.871 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.593 ' O ' ' N ' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -54.87 -31.17 59.46 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.0 -41.52 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.686 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.55 -20.97 61.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.152 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.656 ' C ' ' H ' ' A' ' 87' ' ' ASN . 1.5 m -130.04 30.96 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.719 ' OD1' ' CZ ' ' B' ' 71' ' ' PHE . 29.3 t30 -65.09 26.71 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.098 -1.001 . . . . 0.0 109.88 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.69 HD22 ' CG2' ' A' ' 47' ' ' VAL . 34.4 p-10 -50.4 139.86 14.63 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.559 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -107.7 -33.24 7.34 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 109.299 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 97.3 m-85 -93.31 -22.23 19.1 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.2 -0.938 . . . . 0.0 109.816 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER 34.04 49.05 0.27 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.295 0.569 . . . . 0.0 111.452 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -90.86 104.95 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.791 -1.193 . . . . 0.0 108.696 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 20.3 p-10 -82.27 150.35 27.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.883 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.461 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.662 2.625 . . . . 0.0 119.662 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.625 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 58.9 p -80.7 169.44 17.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.237 -1.155 . . . . 0.0 109.744 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 -60.85 -50.67 72.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.265 -0.897 . . . . 0.0 111.295 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 63.7 mt -76.66 -41.0 47.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.603 -1.311 . . . . 0.0 110.647 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.495 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 88.6 tt0 -62.02 -41.7 98.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.972 -1.08 . . . . 0.0 110.075 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -60.16 -39.97 88.25 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.266 -0.897 . . . . 0.0 110.41 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.573 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -68.54 -39.99 80.89 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 0.0 111.3 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.21 -41.62 97.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.954 -1.092 . . . . 0.0 110.427 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.96 -39.92 96.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.211 -0.93 . . . . 0.0 110.082 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -63.56 -39.98 95.81 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -0.867 . . . . 0.0 110.355 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 11' ' ' LEU . 93.8 mt -59.93 -40.1 87.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.94 -1.1 . . . . 0.0 110.749 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.31 -43.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.732 -1.23 . . . . 0.0 109.819 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.01 -40.47 89.36 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.346 -0.846 . . . . 0.0 110.891 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 4' ' ' LEU . 56.7 t -66.61 -39.42 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.697 -1.252 . . . . 0.0 110.33 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 5.4 m-30 -50.71 -38.24 46.13 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 107.735 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 20' ' ' GLY . 73.3 t60 -60.09 -35.53 75.41 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -58.79 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.954 -1.091 . . . . 0.0 110.4 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.66 -39.87 64.13 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.521 -1.362 . . . . 0.0 110.711 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 49.5 m -84.38 -6.84 59.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.071 -1.018 . . . . 0.0 111.229 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -58.34 -39.76 93.16 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -76.52 -12.42 60.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -78.34 141.51 38.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.78 -32.08 73.49 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.64 129.03 45.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.309 -1.112 . . . . 0.0 109.327 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 26' ' ' TYR . 4.4 mptp? -62.53 -32.17 73.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 109.518 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.502 ' O ' ' O ' ' B' ' 27' ' ' LYS . 59.7 m-85 -48.72 170.38 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.703 ' HB3' HG23 ' B' ' 69' ' ' VAL . 45.4 tptt -50.86 -94.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.431 -1.418 . . . . 0.0 109.329 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.678 ' O ' HG22 ' B' ' 69' ' ' VAL . 1.3 pp 179.48 -178.76 0.38 Allowed 'General case' 0 N--CA 1.513 2.711 0 O-C-N 120.686 -1.259 . . . . 0.0 112.06 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -44.0 155.2 0.09 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.29 -0.881 . . . . 0.0 111.912 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.745 ' O ' HD23 ' B' ' 61' ' ' LEU . 2.1 mmmm -66.85 -54.15 25.27 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -60.05 -44.15 94.89 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 119.536 -1.978 . . . . 0.0 111.942 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -69.65 -31.53 69.66 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.75 -1.219 . . . . 0.0 108.782 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.726 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.9 tm? -59.94 -44.12 94.57 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.076 -1.015 . . . . 0.0 108.992 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 1.103 ' HZ1' HD13 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -65.46 -55.32 18.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.784 -1.197 . . . . 0.0 111.836 -178.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.66 -27.93 52.63 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 120.43 -1.419 . . . . 0.0 110.204 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -74.4 -52.94 10.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.51 -0.743 . . . . 0.0 111.917 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.714 HD23 HG22 ' B' ' 78' ' ' VAL . 6.1 mp -69.16 -45.28 70.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.624 -1.298 . . . . 0.0 112.728 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.0 -26.47 67.62 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.505 -1.372 . . . . 0.0 107.61 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.2 -40.02 53.29 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.623 ' CG ' ' OG ' ' A' ' 2' ' ' SER . 80.9 tt0 -79.22 -5.92 55.43 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -114.34 49.46 1.01 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.0 m -53.96 -38.26 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.455 -0.778 . . . . 0.0 110.025 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 36.6 t -56.57 -17.92 10.14 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.617 ' CD2' ' SG ' ' B' ' 85' ' ' CYS . 30.0 t80 -59.95 -40.07 87.73 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.32 -13.84 62.56 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 47' ' ' VAL . 9.3 t70 -60.02 -46.28 90.0 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.424 -0.797 . . . . 0.0 109.9 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.693 ' CG2' HD22 ' B' ' 87' ' ' ASN . 1.8 m -157.49 97.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.022 -1.049 . . . . 0.0 110.895 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.464 ' H ' ' CD ' ' B' ' 48' ' ' GLN . 8.5 mp0 -70.09 119.78 14.8 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.233 -0.917 . . . . 0.0 108.937 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.684 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -91.62 -80.01 0.36 Allowed 'General case' 0 C--N 1.288 -2.067 0 O-C-N 121.774 -0.579 . . . . 0.0 110.495 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -101.33 98.93 9.24 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.895 -1.128 . . . . 0.0 109.954 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -18.91 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.012 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 -39.94 75.47 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.613 -0.679 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.01 64.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -0.833 . . . . 0.0 109.282 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -59.41 -37.93 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.06 -40.04 83.93 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.098 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -66.52 -40.01 88.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.707 HD11 ' HB1' ' B' ' 80' ' ' ALA . 1.4 mp -59.95 -43.27 91.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.009 -1.057 . . . . 0.0 108.482 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 1.2 mpt? -58.72 -24.57 61.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.428 -0.795 . . . . 0.0 109.648 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' B' ' 63' ' ' GLU . 9.9 mtpm? -67.05 -39.6 86.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.702 -1.248 . . . . 0.0 110.374 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 64' ' ' ASN . 96.2 mt-10 -67.64 -39.94 84.59 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.564 -1.335 . . . . 0.0 111.81 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 1.103 HD13 ' HZ1' ' B' ' 34' ' ' LYS . 3.0 mp -74.79 -33.26 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.416 . . . . 0.0 109.828 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -37.89 75.78 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.474 -1.391 . . . . 0.0 108.421 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 59' ' ' LYS . 11.7 mm-40 -61.44 -39.99 92.83 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.588 0.708 . . . . 0.0 109.357 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 60' ' ' GLU . 50.9 p30 -148.12 61.62 1.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.88 -29.89 14.44 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -80.03 1.9 25.84 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.585 -0.95 . . . . 0.0 109.837 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -149.48 0.26 Allowed Glycine 0 N--CA 1.484 1.876 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -160.07 160.41 33.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.229 -1.159 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' B' ' 27' ' ' LYS . 7.3 m -129.11 155.39 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.51 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.7 m-20 -128.51 -159.99 0.99 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.198 -0.939 . . . . 0.0 109.501 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.719 ' CZ ' ' OD1' ' A' ' 86' ' ' ASN . 42.8 p90 -59.95 -51.42 69.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 0.0 111.487 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.713 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.64 -27.51 64.11 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.738 -1.226 . . . . 0.0 109.548 -178.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.51 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 37.5 tt0 -82.09 -34.56 29.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.129 -1.029 . . . . 0.0 108.358 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.754 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.4 t80 -69.99 -38.83 76.12 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.167 -0.958 . . . . 0.0 108.949 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 79' ' ' ALA . 55.9 t -74.81 -44.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.3 -0.875 . . . . 0.0 111.021 -178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.64 HG13 HG13 ' A' ' 76' ' ' VAL . 53.7 t -68.5 -39.92 81.34 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.523 -0.735 . . . . 0.0 110.138 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 3.5 tp -69.66 -40.0 76.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.385 -0.822 . . . . 0.0 109.098 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.754 HG23 ' O ' ' B' ' 74' ' ' PHE . 75.1 t -61.4 -42.48 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 109.643 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 72' ' ' GLN . . . -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' B' ' 57' ' ' ILE . . . -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.514 0.674 . . . . 0.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.18 -40.01 86.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.463 -1.398 . . . . 0.0 107.93 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.587 ' O ' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -54.56 -31.1 56.0 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -41.58 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.684 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.39 -20.81 61.38 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.237 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.674 ' C ' ' H ' ' B' ' 87' ' ' ASN . 1.4 m -130.28 30.65 4.73 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.697 ' OD1' ' CZ ' ' A' ' 71' ' ' PHE . 28.8 t30 -64.92 26.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.11 -0.993 . . . . 0.0 110.008 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.693 HD22 ' CG2' ' B' ' 47' ' ' VAL . 33.8 p-10 -50.45 139.99 14.59 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.706 -0.621 . . . . 0.0 109.514 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -107.8 -33.16 7.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.532 -0.73 . . . . 0.0 109.232 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.568 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 95.8 m-85 -93.44 -22.29 18.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.131 -0.98 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.568 ' CD1' ' O ' ' B' ' 89' ' ' PHE . 0.7 OUTLIER 34.19 48.57 0.26 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.264 0.554 . . . . 0.0 111.545 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.1 104.9 17.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.777 -1.202 . . . . 0.0 108.916 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 18.2 p-10 -81.62 150.64 28.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.306 -0.871 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.472 179.609 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.875 0 N-CA-C 119.681 2.632 . . . . 0.0 119.681 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -80.1 157.65 26.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.262 -1.14 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.5 mp0 -60.81 -40.37 92.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.345 -0.847 . . . . 0.0 110.005 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HG ' HG11 ' B' ' 14' ' ' VAL . 31.4 mt -70.06 -41.6 73.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.904 . . . . 0.0 111.15 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.69 -41.1 98.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.813 -1.179 . . . . 0.0 109.873 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.88 -39.94 96.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 110.982 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.06 -46.93 87.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.966 -1.084 . . . . 0.0 110.293 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.98 -35.93 76.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.283 -0.886 . . . . 0.0 110.162 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.518 -1.364 . . . . 0.0 108.084 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -62.58 -39.98 95.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 7' ' ' ALA . 9.6 mp -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.651 -0.656 . . . . 0.0 110.035 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.37 -40.23 87.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.745 -1.222 . . . . 0.0 110.309 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.88 -40.13 91.31 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.032 -1.042 . . . . 0.0 111.624 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.607 HG11 ' HG ' ' B' ' 4' ' ' LEU . 21.5 t -69.92 -38.28 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.81 -1.181 . . . . 0.0 110.138 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.49 -39.99 68.07 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -65.39 -23.45 66.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.632 -0.668 . . . . 0.0 109.248 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -58.93 -55.21 38.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.952 -1.092 . . . . 0.0 109.879 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -74.18 -40.08 62.77 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.719 -1.238 . . . . 0.0 110.471 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 21' ' ' LYS . 61.6 m -82.83 -7.51 59.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.072 -1.018 . . . . 0.0 110.157 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -60.63 18.06 0.04 OUTLIER Glycine 0 N--CA 1.492 2.41 0 O-C-N 121.182 -0.949 . . . . 0.0 111.462 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 19' ' ' SER . 4.7 tmtm? -68.72 2.27 2.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.689 -1.477 . . . . 0.0 108.033 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 20' ' ' GLY . 86.4 mt-10 65.63 0.4 1.45 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.497 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -84.93 -88.56 0.88 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.428 -2.269 . . . . 0.0 107.428 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -101.59 109.57 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.08 -34.65 73.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.101 -1.0 . . . . 0.0 109.582 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' LYS . 62.3 m-85 -49.7 168.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 108.446 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HB3' HG23 ' A' ' 69' ' ' VAL . 17.0 tptp -51.6 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.739 -1.226 . . . . 0.0 109.64 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -179.33 -176.81 0.42 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.596 -1.315 . . . . 0.0 110.811 179.767 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -52.13 148.9 5.73 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 110.866 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG2' HG13 ' A' ' 69' ' ' VAL . 17.8 mtpp -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.629 -0.67 . . . . 0.0 111.338 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.56 -52.45 61.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.593 -1.317 . . . . 0.0 111.031 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -39.96 94.62 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.055 . . . . 0.0 108.574 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.741 HD13 ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.37 -45.05 55.03 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.382 -0.824 . . . . 0.0 109.463 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.57 ' N ' HD13 ' A' ' 33' ' ' LEU . 2.8 tmtt? -60.02 -49.02 79.3 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.328 -1.482 . . . . 0.0 110.718 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.12 -28.6 66.69 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.55 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.8 tp -70.53 -54.87 10.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 111.153 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD13 HG22 ' A' ' 78' ' ' VAL . 4.4 mt -59.98 -51.14 70.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.648 -1.283 . . . . 0.0 110.342 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -58.72 -20.76 51.81 Favored 'General case' 0 C--N 1.277 -2.556 0 O-C-N 120.88 -1.137 . . . . 0.0 109.777 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.46 -31.98 32.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.209 -0.932 . . . . 0.0 109.828 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -87.84 -39.08 15.13 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.335 -0.853 . . . . 0.0 108.774 179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.4 mm? -90.4 33.62 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.04 -40.08 88.15 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.246 -0.909 . . . . 0.0 110.695 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 32.4 t -64.2 -29.88 70.97 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.013 -1.054 . . . . 0.0 108.93 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 33.3 m-85 -60.01 -41.52 92.32 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 117.606 -1.638 . . . . 0.0 107.713 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.9 mp -58.74 -2.33 0.22 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.978 -1.076 . . . . 0.0 108.779 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 44' ' ' PHE . 84.6 m-20 -59.95 -39.96 87.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.91 -1.119 . . . . 0.0 108.966 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.194 -0.941 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -62.91 123.47 18.58 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.148 0.975 . . . . 0.0 109.573 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -104.67 -47.73 3.98 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.704 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -97.07 86.55 3.99 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.182 -0.949 . . . . 0.0 109.526 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.51 -18.97 58.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.51 -39.94 73.82 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.7 -0.625 . . . . 0.0 109.419 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -50.84 58.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.257 -0.902 . . . . 0.0 108.93 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' CG2' ' HB2' ' A' ' 84' ' ' ALA . 72.3 t -59.44 -39.38 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.407 -0.808 . . . . 0.0 108.934 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.01 -39.96 87.59 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.249 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.17 -39.99 93.67 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.854 0.835 . . . . 0.0 109.026 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.65 ' O ' HD12 ' A' ' 61' ' ' LEU . 83.1 mt -60.06 -50.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.803 -0.56 . . . . 0.0 110.373 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -23.91 57.74 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.553 -0.717 . . . . 0.0 110.198 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.03 -39.98 83.01 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.327 -0.858 . . . . 0.0 109.675 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.21 -48.46 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.075 -1.015 . . . . 0.0 111.339 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -73.45 -23.63 60.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.034 -1.041 . . . . 0.0 109.664 -179.163 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.42 -33.31 60.94 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.168 -0.958 . . . . 0.0 108.7 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.7 -40.0 90.6 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.742 0.782 . . . . 0.0 108.931 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 66' ' ' ASP . 37.6 p-10 -159.7 64.07 0.37 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -46.3 -16.18 0.16 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ASN . 95.5 m-20 -86.62 0.02 55.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.458 -1.024 . . . . 0.0 109.668 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -63.34 -145.23 0.02 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -155.72 154.26 31.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.7 HG21 ' HG ' ' A' ' 33' ' ' LEU . 6.4 m -134.98 154.21 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.24 0.95 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.215 -0.928 . . . . 0.0 109.939 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.2 p90 -60.03 -48.42 81.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.707 -0.621 . . . . 0.0 111.668 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.706 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -71.72 -29.15 64.23 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 120.379 -1.451 . . . . 0.0 109.279 -178.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' HG2' HG12 ' A' ' 69' ' ' VAL . 29.2 tp10 -82.17 -36.34 27.46 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.8 t80 -69.98 -38.95 76.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.805 . . . . 0.0 109.269 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.41 -41.34 56.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 121.352 -0.842 . . . . 0.0 110.584 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.5 t -69.97 -40.2 78.36 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 121.563 -0.711 . . . . 0.0 111.129 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.84 -35.82 64.85 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.364 -0.835 . . . . 0.0 109.785 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 74' ' ' PHE . 77.0 t -70.05 -40.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.325 -0.859 . . . . 0.0 108.889 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.03 85.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 64.5 tp -62.38 -39.99 94.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.08 -1.012 . . . . 0.0 109.005 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.484 HG23 ' CE2' ' A' ' 44' ' ' PHE . 7.2 m -54.01 -37.52 64.13 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.106 -0.997 . . . . 0.0 108.469 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.72 -27.44 37.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -59.97 -39.93 87.34 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.941 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.623 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -143.71 65.17 1.32 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.939 -1.101 . . . . 0.0 108.97 -177.428 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.63 41.35 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.267 -0.895 . . . . 0.0 109.02 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.623 ' N ' ' O ' ' A' ' 85' ' ' CYS . 45.5 p-10 -60.59 152.16 26.93 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.636 0.732 . . . . 0.0 111.36 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -126.6 -56.33 1.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.429 0.633 . . . . 0.0 109.307 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -91.24 -18.08 24.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.222 -0.924 . . . . 0.0 110.546 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -88.14 46.32 1.37 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.815 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.86 150.07 47.2 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -65.87 153.31 42.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.034 -1.041 . . . . 0.0 109.511 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.35 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.644 2.618 . . . . 0.0 119.644 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -80.17 157.53 26.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -1.094 . . . . 0.0 109.557 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.9 mp0 -60.61 -40.53 92.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.073 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.607 ' HG ' HG11 ' A' ' 14' ' ' VAL . 32.3 mt -70.01 -41.58 74.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.201 -0.937 . . . . 0.0 111.082 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.63 -41.09 98.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.87 -1.144 . . . . 0.0 109.917 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -62.98 -40.01 96.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.805 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.414 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.03 -46.89 88.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.028 -1.045 . . . . 0.0 110.381 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.95 -36.07 76.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.34 -0.85 . . . . 0.0 110.227 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.697 -1.252 . . . . 0.0 108.003 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.56 -39.98 95.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 7' ' ' ALA . 9.7 mp -59.72 -40.07 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.531 -0.731 . . . . 0.0 110.04 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.18 -40.34 87.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.784 -1.198 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -65.72 -40.25 92.03 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 0.0 111.553 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.628 HG11 ' HG ' ' A' ' 4' ' ' LEU . 21.2 t -69.98 -38.09 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.728 -1.232 . . . . 0.0 110.266 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.59 -40.0 68.38 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.8 t-80 -65.41 -23.42 66.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -58.91 -55.36 36.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.984 -1.073 . . . . 0.0 109.947 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.99 -40.22 63.11 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.814 -1.178 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.558 ' C ' ' H ' ' B' ' 21' ' ' LYS . 64.0 m -82.75 -7.58 59.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.196 -0.94 . . . . 0.0 110.251 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -60.55 17.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.279 -0.888 . . . . 0.0 111.484 -178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' B' ' 19' ' ' SER . 4.8 tmtm? -68.72 2.4 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.614 -1.521 . . . . 0.0 107.98 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' B' ' 20' ' ' GLY . 86.7 mt-10 65.65 0.21 1.41 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.527 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.81 -88.69 0.86 Allowed Glycine 0 N--CA 1.488 2.132 0 N-CA-C 107.463 -2.255 . . . . 0.0 107.463 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -101.33 109.36 21.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.978 . . . . 0.0 108.448 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -60.0 -34.68 73.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 109.636 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 62.1 m-85 -49.56 168.54 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.662 ' HB3' HG23 ' B' ' 69' ' ' VAL . 17.1 tptp -51.73 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.709 -1.244 . . . . 0.0 109.567 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -179.29 -176.84 0.42 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.536 -1.352 . . . . 0.0 110.867 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -51.97 149.07 5.3 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.872 -1.143 . . . . 0.0 110.802 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.443 ' HG2' HG13 ' B' ' 69' ' ' VAL . 17.6 mtpp -60.2 -40.01 88.55 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.577 -0.702 . . . . 0.0 111.384 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -63.46 -52.37 61.71 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.656 -1.278 . . . . 0.0 111.042 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -40.0 94.69 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.993 -1.067 . . . . 0.0 108.498 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.741 ' C ' HD13 ' B' ' 33' ' ' LEU . 0.8 OUTLIER -50.22 -45.1 53.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.561 ' N ' HD13 ' B' ' 33' ' ' LEU . 3.0 tmtt? -60.0 -49.31 78.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.313 -1.492 . . . . 0.0 110.687 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.89 -28.72 66.42 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 118.306 -1.357 . . . . 0.0 109.648 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.53 -54.8 10.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.111 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.518 HD13 HG22 ' B' ' 78' ' ' VAL . 4.6 mt -60.0 -51.06 71.26 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.698 -1.251 . . . . 0.0 110.284 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -58.7 -20.83 52.1 Favored 'General case' 0 C--N 1.278 -2.502 0 O-C-N 120.895 -1.128 . . . . 0.0 109.841 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.38 -32.1 33.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 109.826 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -38.59 15.44 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.329 -0.857 . . . . 0.0 108.806 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.426 HD22 ' O ' ' B' ' 37' ' ' LEU . 1.4 mm? -90.61 33.57 0.91 Allowed 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.03 -40.28 88.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.329 -0.857 . . . . 0.0 110.656 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 31.1 t -64.02 -29.99 71.1 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.006 -1.059 . . . . 0.0 109.085 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.532 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 33.3 m-85 -59.98 -41.3 91.71 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.488 -1.685 . . . . 0.0 107.671 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 45' ' ' LEU . 10.9 mp -58.85 -2.24 0.22 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.008 -1.058 . . . . 0.0 108.866 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' B' ' 44' ' ' PHE . 84.9 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.001 -1.062 . . . . 0.0 108.926 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.141 -0.974 . . . . 0.0 109.728 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -63.19 123.46 18.69 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 122.128 0.966 . . . . 0.0 109.523 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -104.5 -47.92 3.96 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.685 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.0 86.47 3.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.21 -0.931 . . . . 0.0 109.576 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.41 -18.96 58.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.331 -0.856 . . . . 0.0 108.914 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.55 -40.05 73.61 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.699 -0.626 . . . . 0.0 109.314 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.17 -51.01 58.94 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.264 -0.897 . . . . 0.0 108.862 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' B' ' 84' ' ' ALA . 72.1 t -59.42 -39.33 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 119.743 -0.783 . . . . 0.0 108.896 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.99 -40.08 87.92 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.488 -0.757 . . . . 0.0 110.197 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -40.04 93.8 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.326 -0.858 . . . . 0.0 109.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.648 ' O ' HD12 ' B' ' 61' ' ' LEU . 82.6 mt -59.97 -50.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.725 -0.609 . . . . 0.0 110.513 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -23.77 58.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.08 -40.01 82.76 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.32 -0.863 . . . . 0.0 109.625 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.26 -48.34 76.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.156 -0.965 . . . . 0.0 111.302 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.648 HD12 ' O ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER -73.56 -23.83 60.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.026 -1.047 . . . . 0.0 109.616 -179.157 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.18 -33.55 61.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 0.0 108.785 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.769 0.795 . . . . 0.0 108.959 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' B' ' 66' ' ' ASP . 37.5 p-10 -159.72 64.17 0.37 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -46.24 -16.23 0.16 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.0 m-20 -86.84 0.09 55.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.465 -1.021 . . . . 0.0 109.648 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -63.34 -145.22 0.02 OUTLIER Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -155.72 154.33 31.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.323 -1.104 . . . . 0.0 110.085 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.701 HG21 ' HG ' ' B' ' 33' ' ' LEU . 6.5 m -134.99 154.11 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.23 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.146 -0.972 . . . . 0.0 109.919 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.7 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.1 p90 -60.02 -48.68 80.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.688 -0.633 . . . . 0.0 111.661 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.7 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -71.34 -29.31 64.84 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.273 -1.517 . . . . 0.0 109.443 -178.771 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.504 ' HG2' HG12 ' B' ' 69' ' ' VAL . 28.5 tp10 -82.05 -36.01 28.13 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.393 -0.817 . . . . 0.0 108.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 78' ' ' VAL . 7.4 t80 -69.99 -39.28 76.02 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.778 0.799 . . . . 0.0 109.218 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.19 -41.5 58.39 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 O-C-N 121.401 -0.812 . . . . 0.0 110.487 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.9 t -70.02 -40.08 78.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.68 -0.637 . . . . 0.0 111.088 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.77 -36.07 65.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.406 -0.809 . . . . 0.0 109.795 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 74' ' ' PHE . 76.6 t -69.88 -40.05 78.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 108.971 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.93 85.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.541 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 62.5 tp -62.52 -40.03 95.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 108.935 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.505 HG23 ' CE2' ' B' ' 44' ' ' PHE . 6.9 m -53.91 -37.49 63.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.968 -1.083 . . . . 0.0 108.527 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.541 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -59.78 -27.43 38.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.015 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.021 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.649 ' O ' ' N ' ' B' ' 87' ' ' ASN . 0.0 OUTLIER -143.75 65.05 1.32 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.021 -1.049 . . . . 0.0 108.93 -177.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -63.72 41.58 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.346 -0.846 . . . . 0.0 108.961 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.649 ' N ' ' O ' ' B' ' 85' ' ' CYS . 45.4 p-10 -60.87 152.38 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.533 0.683 . . . . 0.0 111.432 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -126.67 -56.12 1.39 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.49 -18.0 24.84 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -88.19 46.35 1.37 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.962 -1.086 . . . . 0.0 109.904 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -70.01 150.03 47.08 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -65.97 153.25 42.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.98 . . . . 0.0 109.429 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.414 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.893 2.717 . . . . 0.0 119.893 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -92.64 160.18 15.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -1.218 . . . . 0.0 109.128 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.652 ' HB3' HG22 ' B' ' 14' ' ' VAL . 43.4 mt-10 -60.88 -50.0 75.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.118 -0.989 . . . . 0.0 110.466 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.877 ' CD1' ' CG1' ' B' ' 14' ' ' VAL . 6.2 mp -69.95 -41.54 74.42 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.994 -1.066 . . . . 0.0 110.82 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.66 -45.04 95.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.817 -1.177 . . . . 0.0 109.741 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.9 m -60.27 -39.9 88.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.568 -0.708 . . . . 0.0 109.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.19 88.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 110.461 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -42.82 95.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.938 -1.101 . . . . 0.0 110.361 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.9 -40.21 96.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.409 -0.807 . . . . 0.0 110.519 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 91.8 mt -59.65 -40.03 86.34 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.092 -1.005 . . . . 0.0 110.165 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.42 -46.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.94 -1.1 . . . . 0.0 110.807 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.023 -1.048 . . . . 0.0 110.284 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.833 ' CG1' ' CD1' ' B' ' 4' ' ' LEU . 75.4 t -64.07 -39.77 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.174 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 6.4 m-30 -57.12 -39.88 75.99 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.0 t60 -56.7 -29.31 62.27 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.42 69.74 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.011 -1.056 . . . . 0.0 110.167 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -78.71 -40.44 33.7 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.451 -1.405 . . . . 0.0 110.736 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 22.3 m -100.88 17.47 22.08 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.059 -1.026 . . . . 0.0 111.085 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -56.35 -5.66 1.21 Allowed Glycine 0 N--CA 1.484 1.842 0 C-N-CA 118.673 -1.727 . . . . 0.0 109.537 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 19' ' ' SER . 87.8 tttt -68.52 121.46 16.42 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -59.75 -39.51 85.03 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -71.49 0.59 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -101.97 82.31 2.22 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.463 -1.022 . . . . 0.0 110.26 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.96 -24.63 63.37 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.928 -1.108 . . . . 0.0 108.951 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' O ' ' OG ' ' A' ' 19' ' ' SER . 75.2 m-85 -49.99 171.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HB3' HG23 ' A' ' 69' ' ' VAL . 28.2 tptp -56.89 -80.97 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.092 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -171.77 161.01 5.82 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.075 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -50.09 148.3 3.47 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 45.4 mttm -53.29 -49.17 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.501 -1.374 . . . . 0.0 110.351 -178.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.38 -44.09 75.75 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.674 -1.266 . . . . 0.0 111.442 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -70.81 -40.1 72.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.817 -1.177 . . . . 0.0 109.71 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.2 tm? -54.51 -47.8 72.65 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.928 -0.483 . . . . 0.0 111.192 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG2' ' HZ2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.941 -1.724 . . . . 0.0 110.845 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.66 -27.63 67.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.619 -1.301 . . . . 0.0 109.51 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -59.91 2.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.639 -0.663 . . . . 0.0 111.41 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 37' ' ' LEU . 10.9 mp -78.0 -39.81 41.02 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.571 -1.331 . . . . 0.0 113.075 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -54.52 -32.43 58.1 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.359 -1.463 . . . . 0.0 108.075 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -74.43 -39.86 62.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -35.91 75.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.12 31.58 1.88 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.909 -1.12 . . . . 0.0 110.475 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 67.6 m -61.45 -32.89 72.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 108.911 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 46' ' ' ASP . 33.3 m-85 -59.84 -39.63 85.82 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.061 -1.456 . . . . 0.0 107.272 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 mt -57.39 -5.43 0.32 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' PHE . 65.0 m-20 -50.31 -34.91 25.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.02 -1.05 . . . . 0.0 108.893 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.1 p -140.02 100.58 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.244 -0.91 . . . . 0.0 110.451 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 10.2 pt20 -70.01 114.96 8.68 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.666 -1.272 . . . . 0.0 108.967 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 84' ' ' ALA . 35.9 mmtm -90.02 -79.76 0.33 Allowed 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.646 -0.659 . . . . 0.0 109.546 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -99.86 101.6 12.78 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 122.095 0.95 . . . . 0.0 110.14 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.05 -17.95 61.98 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -71.03 -39.99 71.98 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.691 -0.63 . . . . 0.0 109.32 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.4 -50.99 63.39 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.281 -0.887 . . . . 0.0 109.352 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.638 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -60.02 -36.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -60.22 -39.82 87.99 Favored 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.476 -0.765 . . . . 0.0 110.09 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.88 -40.0 83.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.901 -1.124 . . . . 0.0 109.076 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.499 HD11 ' CB ' ' A' ' 80' ' ' ALA . 96.7 mt -60.01 -40.08 82.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 109.554 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.55 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.53 -29.04 68.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.395 -0.815 . . . . 0.0 109.615 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.67 -39.48 88.54 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.979 -1.076 . . . . 0.0 109.892 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' OE2' ' OE2' ' A' ' 63' ' ' GLU . 65.4 mm-40 -68.12 -39.95 82.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.893 -1.129 . . . . 0.0 110.485 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.51 -30.32 68.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 111.617 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.1 t0 -92.44 -31.04 15.43 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.11 -0.994 . . . . 0.0 111.109 -177.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' OE2' ' OE2' ' A' ' 60' ' ' GLU . 18.5 pt-20 -70.22 -31.12 68.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.159 -0.963 . . . . 0.0 108.966 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -159.45 53.34 0.38 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.477 -0.765 . . . . 0.0 109.178 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.72 -27.69 9.7 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -82.2 -3.14 54.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.426 -1.044 . . . . 0.0 110.204 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.96 -145.41 0.16 Allowed Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -157.61 155.18 29.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.123 -1.222 . . . . 0.0 111.289 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 27' ' ' LYS . 13.7 m -131.54 157.27 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 13.6 m-20 -124.96 -155.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 31.6 p90 -63.8 -45.51 89.36 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.39 -0.819 . . . . 0.0 112.373 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.65 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.2 tt0 -75.22 -32.29 61.12 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.387 -1.446 . . . . 0.0 109.553 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 71.9 mt-10 -78.5 -39.91 36.81 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.188 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -79.81 -31.87 40.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.63 -1.294 . . . . 0.0 108.535 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 71' ' ' PHE . 59.4 t -69.76 -39.92 78.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 C-N-CA 118.916 -1.114 . . . . 0.0 109.327 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.2 t -68.54 -40.13 81.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.413 -0.804 . . . . 0.0 109.844 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.59 -36.75 81.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.972 -1.08 . . . . 0.0 109.764 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.71 -40.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.324 -0.86 . . . . 0.0 109.628 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.77 87.07 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -62.48 -36.98 84.21 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.61 -39.99 95.52 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.77 -1.206 . . . . 0.0 109.546 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -60.48 -40.04 89.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.71 -37.26 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.638 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -70.02 -22.18 63.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.788 -0.57 . . . . 0.0 109.915 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.584 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.5 m -149.47 65.56 1.01 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.416 ' H ' ' HG3' ' A' ' 49' ' ' LYS . 22.6 t-20 -66.28 50.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 85' ' ' CYS . 63.3 t30 -57.01 136.91 56.3 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.412 0.625 . . . . 0.0 109.997 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.12 -82.28 0.23 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 50.5 t80 -90.28 -10.48 44.04 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.165 -0.959 . . . . 0.0 109.693 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.3 m0 -87.74 43.72 1.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.258 -0.901 . . . . 0.0 109.715 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' HA ' HD21 ' A' ' 87' ' ' ASN . 100.0 mt-10 -73.7 150.67 41.07 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' OD1' ' A' ' 92' ' ' ASN . 18.0 p-10 -68.75 152.32 45.48 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.947 -1.096 . . . . 0.0 110.005 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.428 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.953 0 N-CA-C 119.834 2.694 . . . . 0.0 119.834 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -92.36 160.14 15.25 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.035 -1.273 . . . . 0.0 109.2 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.623 ' HB3' HG22 ' A' ' 14' ' ' VAL . 43.7 mt-10 -61.14 -49.89 75.43 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.225 -0.922 . . . . 0.0 110.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.833 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 6.2 mp -70.11 -41.46 73.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.938 -1.101 . . . . 0.0 110.526 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.1 -45.74 93.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.854 -1.154 . . . . 0.0 109.842 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.1 m -59.94 -40.11 87.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.18 87.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.555 -0.716 . . . . 0.0 110.419 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -43.14 95.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.024 -1.047 . . . . 0.0 110.278 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.64 -40.15 96.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.042 -1.037 . . . . 0.0 110.189 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -64.98 -39.89 94.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.488 -0.758 . . . . 0.0 110.68 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.8 mt -60.07 -39.67 86.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.143 -0.973 . . . . 0.0 110.129 -178.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -46.42 96.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 O-C-N 121.001 -1.062 . . . . 0.0 110.644 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -61.23 -40.14 92.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.997 -1.065 . . . . 0.0 110.168 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.877 ' CG1' ' CD1' ' A' ' 4' ' ' LEU . 64.8 t -63.64 -39.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.391 -0.818 . . . . 0.0 110.18 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 6.5 m-30 -57.01 -40.11 76.02 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 20' ' ' GLY . 72.8 t60 -56.64 -29.27 62.06 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.99 -51.5 69.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.987 -1.071 . . . . 0.0 110.155 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -78.52 -40.74 34.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.564 -1.335 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.476 ' C ' ' H ' ' B' ' 21' ' ' LYS . 19.9 m -100.95 17.86 21.17 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -56.77 -5.0 1.1 Allowed Glycine 0 N--CA 1.484 1.864 0 C-N-CA 118.388 -1.863 . . . . 0.0 109.546 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' B' ' 19' ' ' SER . 88.2 tttt -68.57 121.34 16.21 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.48 -39.48 83.87 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.11 -72.3 0.48 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.64 82.76 2.32 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.397 -1.061 . . . . 0.0 110.287 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.96 -24.39 63.33 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.928 -1.108 . . . . 0.0 108.939 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' B' ' 19' ' ' SER . 73.4 m-85 -50.18 171.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.576 ' HB3' HG23 ' B' ' 69' ' ' VAL . 29.0 tptp -56.88 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.53 -1.356 . . . . 0.0 108.089 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.507 HD22 ' O ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -171.34 161.0 6.35 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.99 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -50.21 147.79 3.95 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 46.5 mttm -52.9 -49.25 66.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.311 -1.493 . . . . 0.0 110.522 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.19 -44.45 75.32 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.677 -1.264 . . . . 0.0 111.29 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.58 -39.91 73.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.87 -1.144 . . . . 0.0 109.758 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.748 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.2 tm? -54.46 -47.41 72.95 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.92 -0.487 . . . . 0.0 111.357 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' HG2' ' HZ2' ' B' ' 34' ' ' LYS . 0.6 OUTLIER -67.54 -40.09 85.02 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.036 -1.665 . . . . 0.0 110.652 -177.818 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.56 -27.7 67.17 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.657 -1.277 . . . . 0.0 109.455 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.04 -59.82 2.55 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 111.567 -178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.4 mp -78.45 -40.01 36.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.582 -1.323 . . . . 0.0 112.791 -177.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -53.8 -33.09 54.95 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 108.192 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -74.37 -40.0 62.38 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -35.47 76.87 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.84 31.43 2.1 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 m -60.11 -40.13 88.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.863 -1.148 . . . . 0.0 110.356 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.3 m -60.79 -33.24 72.68 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' B' ' 46' ' ' ASP . 33.8 m-85 -59.93 -39.63 86.18 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 118.236 -1.386 . . . . 0.0 107.38 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 mt -57.84 -5.23 0.38 Allowed 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 44' ' ' PHE . 64.2 m-20 -50.13 -34.9 23.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.972 -1.08 . . . . 0.0 108.846 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.438 HG13 ' O ' ' B' ' 47' ' ' VAL . 3.0 p -140.09 100.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.185 -0.947 . . . . 0.0 110.475 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 48' ' ' GLN . 10.1 pt20 -69.88 115.13 8.75 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.697 -1.252 . . . . 0.0 108.959 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 84' ' ' ALA . 35.4 mmtm -89.93 -79.95 0.33 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.574 -0.704 . . . . 0.0 109.486 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -99.62 101.52 12.75 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 122.156 0.979 . . . . 0.0 110.299 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.12 -17.85 61.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.347 -0.846 . . . . 0.0 108.991 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -71.29 -39.94 71.17 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.717 -0.614 . . . . 0.0 109.375 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.51 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.53 -51.0 63.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.41 -0.807 . . . . 0.0 109.214 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.665 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -37.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.719 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.84 -40.17 87.63 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.436 -0.79 . . . . 0.0 109.743 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.38 -39.95 85.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.937 -1.102 . . . . 0.0 109.374 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.487 HD11 ' CB ' ' B' ' 80' ' ' ALA . 95.6 mt -60.14 -40.15 82.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.384 -0.823 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.558 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.2 -29.64 68.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.625 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.1 -39.7 87.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.942 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.432 ' OE2' ' OE2' ' B' ' 63' ' ' GLU . 65.0 mm-40 -68.0 -39.98 83.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.999 -1.063 . . . . 0.0 110.594 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -69.34 -30.65 68.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.442 -178.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 49.4 t0 -92.18 -31.12 15.59 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.066 -1.021 . . . . 0.0 111.08 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.432 ' OE2' ' OE2' ' B' ' 60' ' ' GLU . 18.4 pt-20 -70.1 -31.36 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.136 -0.978 . . . . 0.0 109.082 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -158.99 53.71 0.41 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.563 -0.711 . . . . 0.0 109.117 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.97 -27.91 11.18 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -82.01 -2.9 53.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -1.036 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.46 -145.33 0.2 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -157.35 155.72 31.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.254 . . . . 0.0 111.487 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' B' ' 27' ' ' LYS . 13.9 m -132.02 157.1 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.53 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 12.4 m-20 -124.67 -154.94 0.64 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 30.8 p90 -64.23 -45.09 89.72 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.404 -0.81 . . . . 0.0 112.349 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.644 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.1 tt0 -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.413 -1.429 . . . . 0.0 109.726 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.53 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 71.5 mt-10 -78.33 -39.91 38.13 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.137 -177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -80.04 -31.78 39.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.663 -1.273 . . . . 0.0 108.557 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 71' ' ' PHE . 64.7 t -70.02 -40.06 78.08 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.252 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -68.29 -40.01 81.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.405 -0.809 . . . . 0.0 110.0 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.66 -37.15 81.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.984 -1.072 . . . . 0.0 109.855 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.28 -40.04 79.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 O-C-N 121.361 -0.837 . . . . 0.0 109.511 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.77 87.72 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.536 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -62.83 -36.64 83.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.94 -40.18 96.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.637 -1.29 . . . . 0.0 109.539 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -60.16 -39.84 87.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.536 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -60.09 -37.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.665 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -70.02 -22.08 63.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' B' ' 87' ' ' ASN . 3.8 m -149.69 65.46 0.99 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.424 ' H ' ' HG3' ' B' ' 49' ' ' LYS . 22.4 t-20 -66.0 49.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' B' ' 85' ' ' CYS . 62.9 t30 -56.16 137.03 52.43 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.403 0.621 . . . . 0.0 109.974 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.15 -82.34 0.23 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.507 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 52.2 t80 -90.21 -10.5 44.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.188 -0.945 . . . . 0.0 109.518 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -87.39 42.58 1.05 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.233 -0.917 . . . . 0.0 109.911 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.98 150.01 44.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 17.1 p-10 -68.84 151.99 45.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.89 -1.132 . . . . 0.0 109.707 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.564 179.861 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.858 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -75.93 155.64 34.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -1.166 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' HB2' HG13 ' B' ' 14' ' ' VAL . 48.3 mt-10 -60.04 -44.18 94.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 110.029 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.85 -40.04 76.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.013 -1.054 . . . . 0.0 109.399 -179.354 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.631 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 10.6 tp10 -59.96 -40.07 87.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.32 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.001 -1.062 . . . . 0.0 109.697 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.69 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.605 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.357 -0.84 . . . . 0.0 109.529 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.91 -40.0 87.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -59.91 -39.75 86.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.88 -39.99 87.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.001 -1.062 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -41.33 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.64 -1.287 . . . . 0.0 109.442 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -62.0 -40.0 94.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.401 -0.812 . . . . 0.0 111.253 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' B' ' 3' ' ' GLU . 38.8 t -70.09 -39.95 77.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 O-C-N 120.481 -1.387 . . . . 0.0 111.523 -178.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.573 ' HD1' ' HZ1' ' A' ' 27' ' ' LYS . 14.7 m-85 -54.52 -37.11 64.98 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.438 -1.414 . . . . 0.0 107.614 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' GLY . 83.9 t60 -60.09 -39.76 87.22 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.331 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -53.51 57.56 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 111.031 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -74.73 -40.78 61.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.525 -1.359 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 21' ' ' LYS . 58.2 m -89.67 -1.06 57.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.12 -0.988 . . . . 0.0 111.15 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -64.32 17.01 0.12 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.243 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 23' ' ' GLY . 9.0 mtpm? -70.53 1.85 4.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.73 -1.453 . . . . 0.0 108.856 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 20' ' ' GLY . 44.1 mm-40 64.57 -26.41 0.09 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.682 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -81.7 -71.5 1.29 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -88.7 71.59 8.74 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' TYR . 19.7 ttpp -60.02 -29.91 68.81 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.548 -0.72 . . . . 0.0 109.203 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 88.1 m-85 -54.52 -172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.601 ' O ' HD22 ' A' ' 28' ' ' LEU . 11.4 tppt? -67.1 -80.39 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.233 -1.542 . . . . 0.0 109.038 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -174.86 177.71 1.97 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.16 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.5 t -69.99 149.32 47.85 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 60' ' ' GLU . 3.0 mtmt -54.51 -40.11 68.24 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.395 -1.441 . . . . 0.0 109.596 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.98 -51.49 67.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.011 -1.68 . . . . 0.0 110.199 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.9 tp10 -66.01 -40.06 90.78 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.638 -1.289 . . . . 0.0 108.214 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.856 HD23 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -44.82 -41.59 7.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.856 ' N ' HD23 ' A' ' 33' ' ' LEU . 5.9 tptp -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.144 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLU . 57.5 t0 -59.57 -33.95 72.07 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.692 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 36' ' ' LEU . 9.2 mp -72.78 -56.08 5.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.363 -0.836 . . . . 0.0 111.659 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -47.47 85.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.87 -1.144 . . . . 0.0 111.679 -177.402 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.48 -17.22 63.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.546 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 1.8 m -81.72 -36.24 28.86 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.405 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.653 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 10.8 pt-20 -89.08 -6.7 56.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.089 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 45' ' ' LEU . 15.5 mt -111.7 29.99 7.37 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -41.09 91.41 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.303 -0.873 . . . . 0.0 110.954 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 96.8 p -75.37 -35.84 61.04 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 108.971 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.1 m-85 -60.42 -39.5 87.63 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 41' ' ' LEU . 6.3 mp -62.35 2.5 0.25 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 44' ' ' PHE . 79.8 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.954 -1.091 . . . . 0.0 109.223 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.57 99.31 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.333 -0.854 . . . . 0.0 109.903 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.5 115.02 6.65 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.09 -1.006 . . . . 0.0 108.783 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -91.66 -74.97 0.49 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.714 . . . . 0.0 110.006 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -98.03 104.27 16.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.02 -1.05 . . . . 0.0 109.927 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.82 -16.65 60.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -70.62 -39.55 73.68 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.03 60.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.679 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -36.77 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 43.4 t0 -59.98 -40.07 87.88 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.619 -0.675 . . . . 0.0 110.259 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.14 -38.81 86.17 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.012 -1.055 . . . . 0.0 109.638 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.446 HG23 HD21 ' A' ' 77' ' ' LEU . 78.2 mt -60.0 -40.05 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 121.573 -0.704 . . . . 0.0 109.35 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.622 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.75 -33.84 76.55 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.326 -0.859 . . . . 0.0 109.301 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -41.85 96.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.081 -1.012 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 71.6 mm-40 -60.1 -40.31 89.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.889 -1.132 . . . . 0.0 110.118 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 30' ' ' LYS . 18.6 mt -66.38 -25.21 66.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.041 0.924 . . . . 0.0 108.58 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.23 -29.14 38.43 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -59.99 -41.51 92.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -169.08 73.88 0.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -49.59 -25.65 6.78 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -87.42 0.16 55.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -1.094 . . . . 0.0 109.888 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.21 -152.34 0.05 OUTLIER Glycine 0 N--CA 1.477 1.421 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CG ' ' A' ' 26' ' ' TYR . 85.7 tt0 -146.91 152.76 39.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.498 -1.001 . . . . 0.0 110.454 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.703 HG21 HD12 ' A' ' 33' ' ' LEU . 10.3 m -133.68 160.32 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.503 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 90.5 m-20 -128.12 -160.11 0.99 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.34 0.59 . . . . 0.0 109.61 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.2 p90 -61.88 -45.09 95.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.81 . . . . 0.0 111.69 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.4 tt0 -70.8 -31.49 68.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.931 -1.106 . . . . 0.0 109.837 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.9 mt-10 -76.88 -35.68 57.26 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.987 -1.071 . . . . 0.0 108.887 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 78' ' ' VAL . 56.9 t80 -69.94 -39.41 76.1 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.115 0.959 . . . . 0.0 109.407 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.6 t -73.84 -42.01 53.83 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.588 -0.695 . . . . 0.0 111.508 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.28 -40.91 78.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 121.548 -0.72 . . . . 0.0 110.598 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD21 HG23 ' A' ' 57' ' ' ILE . 6.7 tp -74.4 -32.3 62.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 109.728 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 74' ' ' PHE . 53.0 t -70.0 -40.23 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.302 -0.874 . . . . 0.0 109.187 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.91 95.88 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.784 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.79 -36.39 78.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 81' ' ' LEU . 2.5 tt -69.99 -37.73 75.79 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.403 -1.436 . . . . 0.0 108.969 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.01 -40.04 87.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.9 . . . . 0.0 110.178 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.4 p -58.43 -31.96 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 108.999 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.679 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.12 -24.22 64.08 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.866 -0.521 . . . . 0.0 110.465 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' A' ' 87' ' ' ASN . 1.5 m -147.74 52.62 1.04 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -67.55 46.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 85' ' ' CYS . 21.8 p-10 -41.12 117.09 0.82 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.4 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -107.32 -59.97 1.75 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.722 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 64.9 t80 -85.76 -14.11 46.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.163 -0.961 . . . . 0.0 109.876 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 21.3 m-90 -96.48 41.15 1.11 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.17 -0.956 . . . . 0.0 109.766 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.35 143.89 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 0.0 109.267 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -70.11 154.05 42.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.208 -0.932 . . . . 0.0 110.008 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.593 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.889 0 N-CA-C 119.439 2.536 . . . . 0.0 119.439 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -75.82 155.2 35.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -1.132 . . . . 0.0 109.348 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.439 ' HB2' HG13 ' A' ' 14' ' ' VAL . 48.1 mt-10 -60.02 -43.98 94.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.905 . . . . 0.0 109.989 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.403 ' N ' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.991 -1.068 . . . . 0.0 109.464 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.653 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 10.6 tp10 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.254 -0.904 . . . . 0.0 110.183 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -60.04 -40.34 89.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.965 -1.084 . . . . 0.0 109.563 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.59 79.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.415 -0.803 . . . . 0.0 109.73 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.407 -0.808 . . . . 0.0 109.493 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.02 -39.8 87.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 0.0 108.718 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -59.98 -39.84 87.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.799 . . . . 0.0 109.591 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.02 87.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.955 -1.091 . . . . 0.0 109.869 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.99 -41.15 85.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.832 -1.167 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -62.42 -39.86 94.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.553 -0.717 . . . . 0.0 111.322 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 3' ' ' GLU . 40.7 t -70.03 -40.07 78.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.492 -1.38 . . . . 0.0 111.55 -178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.541 ' HD1' ' HZ1' ' B' ' 27' ' ' LYS . 14.8 m-85 -54.27 -37.18 64.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.482 -1.387 . . . . 0.0 107.595 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' B' ' 20' ' ' GLY . 83.5 t60 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -53.55 57.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.981 -1.075 . . . . 0.0 110.98 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -74.81 -40.57 61.02 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.442 -1.411 . . . . 0.0 110.844 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.51 ' C ' ' H ' ' B' ' 21' ' ' LYS . 53.7 m -89.76 -0.97 57.87 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.053 -1.029 . . . . 0.0 111.165 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -64.44 17.26 0.12 Allowed Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.227 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' B' ' 23' ' ' GLY . 9.2 mtpm? -70.79 1.94 4.82 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.648 -1.501 . . . . 0.0 108.756 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' B' ' 20' ' ' GLY . 43.9 mm-40 64.68 -26.33 0.09 Allowed 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.629 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -81.98 -71.44 1.3 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 24' ' ' ASP . 30.5 p-10 -88.55 71.67 8.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 17.4 ttpp -60.03 -29.87 68.79 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.513 -0.742 . . . . 0.0 109.173 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.46 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 87.1 m-85 -54.71 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.565 ' O ' HD22 ' B' ' 28' ' ' LEU . 11.2 tppt? -66.77 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.378 -1.451 . . . . 0.0 109.071 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.69 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -174.66 177.9 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -70.04 149.29 47.83 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.486 ' CE ' ' O ' ' B' ' 60' ' ' GLU . 2.8 mtmt -54.35 -40.46 68.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.337 -1.477 . . . . 0.0 109.651 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.7 -51.83 66.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.013 -1.68 . . . . 0.0 110.256 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 35' ' ' ASP . 54.7 tp10 -65.71 -40.3 92.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.633 -1.292 . . . . 0.0 108.162 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.853 HD23 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -44.45 -41.93 6.66 Favored 'General case' 0 C--O 1.2 -1.5 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.853 ' N ' HD23 ' B' ' 33' ' ' LEU . 5.6 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 32' ' ' GLU . 58.3 t0 -59.58 -33.79 71.89 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.761 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 36' ' ' LEU . 9.1 mp -72.77 -56.18 5.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.308 -0.87 . . . . 0.0 111.676 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.684 HD23 ' N ' ' B' ' 37' ' ' LEU . 0.2 OUTLIER -60.05 -47.36 86.2 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.814 -1.179 . . . . 0.0 111.749 -177.355 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -69.4 -17.43 63.66 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 -36.03 29.31 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.549 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.631 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 10.6 pt-20 -89.41 -6.4 56.6 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.359 -0.838 . . . . 0.0 109.964 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' HD13 ' B' ' 45' ' ' LEU . 15.5 mt -111.61 29.85 7.48 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.198 -0.939 . . . . 0.0 109.65 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -59.97 -41.31 91.67 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.321 -0.862 . . . . 0.0 110.965 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 96.2 p -75.03 -36.25 61.88 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.7 m-85 -60.0 -39.94 87.47 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 41' ' ' LEU . 5.8 mp -61.93 2.42 0.21 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' B' ' 44' ' ' PHE . 80.3 m-20 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.911 -1.118 . . . . 0.0 109.232 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.62 99.34 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.293 -0.879 . . . . 0.0 110.014 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.25 114.75 6.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.12 -0.987 . . . . 0.0 108.78 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -91.44 -75.18 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.672 -0.642 . . . . 0.0 109.806 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -98.08 104.4 16.43 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.047 -1.033 . . . . 0.0 109.961 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.65 -17.08 60.74 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.42 -39.8 74.22 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.25 58.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.352 -0.842 . . . . 0.0 109.463 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.67 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.89 -36.72 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 44.1 t0 -60.0 -40.0 87.7 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.26 -38.73 85.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.911 -1.118 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.463 HG23 HD21 ' B' ' 77' ' ' LEU . 75.1 mt -59.97 -40.08 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.569 0.699 . . . . 0.0 109.395 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.614 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -63.81 -33.68 76.21 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.315 -0.865 . . . . 0.0 109.343 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.27 -41.65 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.056 . . . . 0.0 110.999 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.486 ' O ' ' CE ' ' B' ' 30' ' ' LYS . 71.8 mm-40 -60.05 -40.46 89.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 110.074 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.469 HD22 ' O ' ' B' ' 30' ' ' LYS . 16.2 mt -66.58 -24.97 66.42 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.05 -29.2 39.22 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.05 -41.49 92.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -169.27 74.16 0.09 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -26.02 7.06 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.29 0.45 55.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -1.097 . . . . 0.0 109.838 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.02 -152.54 0.05 OUTLIER Glycine 0 N--CA 1.479 1.515 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.46 ' OE2' ' CG ' ' B' ' 26' ' ' TYR . 85.8 tt0 -146.89 152.81 39.31 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.525 -0.985 . . . . 0.0 110.399 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.715 HG21 HD12 ' B' ' 33' ' ' LEU . 9.8 m -133.83 160.38 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.513 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 89.0 m-20 -128.08 -160.25 1.0 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.4 0.619 . . . . 0.0 109.664 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.2 p90 -61.67 -44.91 96.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 111.734 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.613 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 66.0 tt0 -71.1 -31.37 67.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.937 -1.102 . . . . 0.0 109.85 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 46.2 mt-10 -76.84 -35.93 57.18 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.008 -1.058 . . . . 0.0 108.864 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.73 ' O ' HG23 ' B' ' 78' ' ' VAL . 59.6 t80 -69.66 -40.02 76.7 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.054 0.931 . . . . 0.0 109.35 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.28 -42.08 57.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 121.57 0.7 . . . . 0.0 111.618 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.27 -41.13 78.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.527 -0.733 . . . . 0.0 110.713 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.463 HD21 HG23 ' B' ' 57' ' ' ILE . 7.2 tp -74.47 -32.05 62.44 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.506 -0.746 . . . . 0.0 109.758 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.295 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.81 95.46 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.76 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.405 0.621 . . . . 0.0 109.441 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.611 HD23 ' O ' ' B' ' 81' ' ' LEU . 2.3 tt -69.79 -37.94 76.48 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.335 -1.478 . . . . 0.0 108.989 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.156 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.76 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -58.47 -32.21 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.207 -0.933 . . . . 0.0 108.914 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.67 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -69.15 -23.83 64.0 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.761 -0.587 . . . . 0.0 110.473 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' B' ' 87' ' ' ASN . 1.7 m -147.79 52.4 1.04 Allowed 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -67.52 46.67 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' B' ' 85' ' ' CYS . 22.8 p-10 -40.99 117.08 0.8 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -107.17 -59.97 1.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.236 -0.915 . . . . 0.0 109.713 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 64.7 t80 -85.84 -14.3 45.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.224 -0.923 . . . . 0.0 109.863 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -96.28 40.99 1.11 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.127 -0.983 . . . . 0.0 109.791 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -69.93 144.16 52.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 109.228 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 36.4 p-10 -70.13 154.08 42.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.124 -0.985 . . . . 0.0 109.959 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.621 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.78 0 N-CA-C 118.234 2.053 . . . . 0.0 118.234 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.608 ' CB ' ' OE2' ' B' ' 40' ' ' GLU . 57.8 m -93.35 166.91 12.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.024 -1.28 . . . . 0.0 109.333 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' B' ' 14' ' ' VAL . 99.0 mt-10 -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.555 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.176 ' CD2' HD22 ' B' ' 37' ' ' LEU . 4.2 tp -79.24 -54.01 6.39 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 111.185 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.68 -39.62 89.13 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.866 -1.146 . . . . 0.0 109.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.7 m -60.66 -40.54 92.42 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.062 -1.024 . . . . 0.0 110.433 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.453 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.65 -48.81 80.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 111.336 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.63 -39.39 88.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.116 -0.99 . . . . 0.0 110.335 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.8 -40.39 88.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.386 -1.446 . . . . 0.0 108.28 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -63.87 -37.3 86.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.694 -0.629 . . . . 0.0 109.482 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD11 HD11 ' B' ' 11' ' ' LEU . 7.7 mp -57.06 -44.38 82.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.547 -0.721 . . . . 0.0 109.89 -178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.5 -41.42 90.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 109.709 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -60.98 -40.99 95.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.261 -0.899 . . . . 0.0 112.054 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' HB3' ' B' ' 3' ' ' GLU . 37.8 t -71.14 -40.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.384 -1.447 . . . . 0.0 111.6 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 3.1 m-30 -58.42 -36.69 74.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -60.01 -33.88 72.6 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.0 63.19 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.899 -1.126 . . . . 0.0 109.649 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -71.58 -39.91 70.27 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.392 -1.443 . . . . 0.0 109.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 21' ' ' LYS . 58.3 m -80.16 -11.8 59.71 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.186 -0.946 . . . . 0.0 110.56 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -59.06 11.63 0.02 OUTLIER Glycine 0 N--CA 1.489 2.171 0 C-N-CA 119.813 -1.184 . . . . 0.0 110.586 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 19' ' ' SER . 83.6 tttt -55.64 -13.5 1.67 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.81 -1.406 . . . . 0.0 107.877 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 20' ' ' GLY . 56.0 tt0 79.4 -15.65 0.74 Allowed 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 114.369 -1.287 . . . . 0.0 108.681 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.26 -81.02 0.52 Allowed Glycine 0 N--CA 1.485 1.954 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -100.41 105.9 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -1.052 . . . . 0.0 108.499 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.63 -30.19 71.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.048 -1.032 . . . . 0.0 109.423 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -51.38 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' HD22 ' A' ' 28' ' ' LEU . 27.5 tptt -56.26 -79.72 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.369 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.29 158.8 3.65 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.328 -0.858 . . . . 0.0 109.434 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -50.21 152.95 1.59 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.398 -1.439 . . . . 0.0 107.904 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.644 ' HB3' HD23 ' A' ' 61' ' ' LEU . 46.2 mtpt -58.25 -43.06 87.66 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.613 -1.305 . . . . 0.0 111.381 -177.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -60.13 -46.61 89.06 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.267 -1.521 . . . . 0.0 110.719 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -71.16 -40.74 71.11 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.77 -1.206 . . . . 0.0 108.845 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.718 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -42.34 -48.54 5.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.623 -0.673 . . . . 0.0 109.514 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -71.21 -36.59 71.94 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.928 -1.108 . . . . 0.0 112.18 -178.691 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.47 -40.21 95.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.324 -1.485 . . . . 0.0 110.932 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.58 -54.33 14.58 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.304 -0.872 . . . . 0.0 111.91 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.246 HD22 ' CD2' ' B' ' 4' ' ' LEU . 15.2 mt -72.03 -39.0 69.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 113.409 -176.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.66 -28.42 67.25 Favored 'General case' 0 C--N 1.284 -2.263 0 O-C-N 120.664 -1.272 . . . . 0.0 108.501 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 m -79.16 -43.83 23.17 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.758 ' CD ' ' HB3' ' B' ' 4' ' ' LEU . 85.3 tt0 -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.179 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.12 32.35 1.17 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.181 -0.95 . . . . 0.0 108.939 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 m -59.66 -39.99 86.27 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.675 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' A' ' 92' ' ' ASN . 83.3 p -60.45 -32.7 71.64 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.251 -0.906 . . . . 0.0 109.07 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 56.4 m-85 -65.15 -39.03 92.42 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.12 -10.02 36.84 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 44.6 t0 -50.68 -32.47 19.39 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.2 p -163.69 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.266 -0.897 . . . . 0.0 110.004 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.8 124.63 24.49 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.136 -0.977 . . . . 0.0 109.833 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 84' ' ' ALA . 71.0 mmtt -81.24 -69.82 0.58 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -97.85 102.9 14.77 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.05 -1.031 . . . . 0.0 109.601 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -13.76 60.62 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -70.2 -39.87 74.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.87 12.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 108.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.69 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -57.11 -35.05 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.527 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 58.8 t0 -59.79 -40.14 87.29 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.81 -40.54 93.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.487 -0.758 . . . . 0.0 108.992 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.56 -41.01 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.03 -35.31 74.81 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.85 -1.157 . . . . 0.0 109.668 179.654 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 61.7 mttp -62.49 -40.76 97.71 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.246 -0.909 . . . . 0.0 111.937 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -70.4 -39.9 74.23 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.523 -1.36 . . . . 0.0 110.044 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 30' ' ' LYS . 24.8 mt -68.5 -29.65 68.31 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.453 -0.779 . . . . 0.0 111.683 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -91.49 -33.46 15.19 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.088 -1.007 . . . . 0.0 110.312 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -28.43 64.89 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 108.959 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -157.91 51.01 0.43 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.695 -0.628 . . . . 0.0 109.557 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.96 -28.24 11.8 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.09 0.1 33.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.452 -1.028 . . . . 0.0 109.005 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.92 -151.5 0.04 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -151.51 147.1 26.41 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.475 -1.014 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 28' ' ' LEU . 4.2 m -129.72 147.71 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 45.2 p-10 -123.16 -162.03 1.0 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 109.323 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.657 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 1.1 p90 -60.03 -49.42 77.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 111.187 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.4 tm0? -67.27 -38.09 84.52 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.696 -1.253 . . . . 0.0 109.481 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 13.9 tp10 -72.85 -40.03 66.05 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -60.44 -35.92 76.97 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.725 HG11 ' HB2' ' B' ' 79' ' ' ALA . 40.3 t -74.81 -38.12 43.57 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.371 -0.831 . . . . 0.0 111.705 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.66 -45.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.585 -1.322 . . . . 0.0 111.4 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.38 -38.45 74.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.821 -1.174 . . . . 0.0 110.516 179.433 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 74' ' ' PHE . 47.2 t -71.8 -35.37 54.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.025 -1.047 . . . . 0.0 110.099 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.765 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.62 -39.26 93.91 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.562 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -68.13 -22.79 64.85 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 108.735 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -76.03 -40.08 54.27 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.689 -1.257 . . . . 0.0 108.552 179.103 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -68.61 -40.98 80.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.979 -1.076 . . . . 0.0 110.985 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 80' ' ' ALA . 9.8 p -59.65 -38.43 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.69 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -58.14 -21.78 48.23 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.624 ' C ' ' H ' ' A' ' 87' ' ' ASN . 3.3 m -140.92 64.7 1.42 Allowed 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 71' ' ' PHE . 21.0 m120 -65.68 38.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.624 ' H ' ' C ' ' A' ' 85' ' ' CYS . 10.6 m-20 -56.06 122.15 11.0 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.745 -0.597 . . . . 0.0 110.25 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -110.48 -57.13 2.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -88.07 -10.45 50.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.571 -0.706 . . . . 0.0 110.185 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -104.29 32.43 4.03 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.302 -0.874 . . . . 0.0 109.615 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -92.27 116.69 29.18 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.453 ' H ' ' HB2' ' A' ' 43' ' ' SER . 84.5 m-20 -81.1 148.28 29.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.956 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 117.896 -1.05 . . . . 0.0 109.284 -179.484 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.727 0 N-CA-C 119.014 2.366 . . . . 0.0 119.014 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.611 ' CB ' ' OE2' ' A' ' 40' ' ' GLU . 65.6 m -91.74 167.03 12.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.202 -1.175 . . . . 0.0 109.397 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' HB3' HG13 ' A' ' 14' ' ' VAL . 98.9 mt-10 -60.04 -41.47 92.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.097 -1.002 . . . . 0.0 109.744 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.246 ' CD2' HD22 ' A' ' 37' ' ' LEU . 4.3 tp -77.84 -53.88 6.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 111.204 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.71 -39.48 88.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.976 -1.078 . . . . 0.0 109.636 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.23 -40.08 92.68 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.14 -0.975 . . . . 0.0 110.459 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.483 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.71 -48.9 79.73 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 111.213 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 81.9 mmm -60.59 -38.15 83.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.887 -1.133 . . . . 0.0 110.639 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.385 -1.447 . . . . 0.0 108.336 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -65.23 -35.71 81.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.77 -0.581 . . . . 0.0 109.675 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 11' ' ' LEU . 7.3 mp -58.54 -43.76 89.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.666 -0.646 . . . . 0.0 109.893 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.78 -41.8 92.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 O-C-N 121.045 -1.034 . . . . 0.0 109.518 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -60.53 -41.28 94.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.364 -0.835 . . . . 0.0 112.069 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' A' ' 3' ' ' GLU . 34.5 t -70.96 -40.3 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.464 -1.398 . . . . 0.0 111.651 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 3.3 m-30 -58.93 -36.32 74.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.446 -1.409 . . . . 0.0 107.457 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.0 t-80 -59.83 -33.85 72.31 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.2 66.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.038 -1.039 . . . . 0.0 109.566 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -71.96 -40.2 68.81 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.383 -1.448 . . . . 0.0 109.966 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.589 ' C ' ' H ' ' B' ' 21' ' ' LYS . 51.0 m -79.99 -11.18 59.8 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.138 -0.977 . . . . 0.0 110.387 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.36 11.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.666 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.589 ' H ' ' C ' ' B' ' 19' ' ' SER . 86.7 tttt -55.36 -14.8 2.05 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.998 -1.295 . . . . 0.0 107.923 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.467 ' N ' ' C ' ' B' ' 20' ' ' GLY . 54.0 tt0 80.55 -16.69 0.63 Allowed 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.777 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.28 -80.88 0.47 Allowed Glycine 0 N--CA 1.485 1.937 0 N-CA-C 107.845 -2.102 . . . . 0.0 107.845 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -100.11 106.02 17.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.396 -1.061 . . . . 0.0 108.95 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.56 -30.19 71.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.142 -0.974 . . . . 0.0 109.789 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -52.46 175.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.463 ' O ' HD22 ' B' ' 28' ' ' LEU . 26.6 tptt -55.34 -81.03 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 118.438 -1.305 . . . . 0.0 109.589 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.576 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -172.25 158.66 4.53 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 121.269 -0.894 . . . . 0.0 109.396 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -49.22 153.73 0.94 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.438 -1.414 . . . . 0.0 107.93 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.661 ' HB3' HD23 ' B' ' 61' ' ' LEU . 47.0 mtpt -59.53 -42.57 92.59 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.263 . . . . 0.0 110.834 -177.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -59.96 -47.37 86.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.156 -1.59 . . . . 0.0 110.742 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.7 tp10 -70.64 -40.54 73.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.706 -1.246 . . . . 0.0 108.716 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.703 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.9 tm? -42.55 -49.1 5.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.599 -0.688 . . . . 0.0 109.628 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.435 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -70.43 -36.91 74.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.899 -1.126 . . . . 0.0 112.116 -178.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.65 -40.2 96.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.332 -1.48 . . . . 0.0 110.825 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.54 -53.21 20.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.385 -0.822 . . . . 0.0 111.784 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 1.176 HD22 ' CD2' ' A' ' 4' ' ' LEU . 15.4 mt -72.32 -39.87 67.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.939 -1.1 . . . . 0.0 113.292 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -59.17 -28.25 66.43 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 120.816 -1.177 . . . . 0.0 108.53 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -79.39 -42.82 24.66 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.191 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.757 ' CD ' ' HB3' ' A' ' 4' ' ' LEU . 83.6 tt0 -71.36 -36.01 71.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.381 -0.824 . . . . 0.0 109.055 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.74 32.97 0.94 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m -60.16 -39.8 87.65 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.284 -0.885 . . . . 0.0 110.486 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.468 ' HB2' ' H ' ' B' ' 92' ' ' ASN . 94.1 p -60.55 -32.8 71.85 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.185 -0.947 . . . . 0.0 108.981 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.515 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 56.2 m-85 -64.58 -39.42 93.69 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.89 -10.12 35.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.442 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 44.9 t0 -50.52 -32.3 17.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.496 HG13 ' O ' ' B' ' 47' ' ' VAL . 5.0 p -164.05 92.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.35 -0.844 . . . . 0.0 110.197 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.18 124.16 23.44 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 121.087 -1.008 . . . . 0.0 109.685 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' B' ' 84' ' ' ALA . 68.9 mmtt -81.26 -69.66 0.59 Allowed 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -97.78 103.05 14.95 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 109.66 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.16 -14.46 60.96 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -70.51 -38.65 74.32 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -55.22 11.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.99 . . . . 0.0 108.9 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.7 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -56.84 -35.16 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 57.9 t0 -60.14 -39.81 87.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.839 . . . . 0.0 108.997 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.42 -41.3 93.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.434 -0.791 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.17 -40.85 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 109.785 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.13 -35.76 75.99 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.85 -1.156 . . . . 0.0 109.805 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 62.2 mttp -62.63 -40.36 96.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.021 -1.05 . . . . 0.0 112.082 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.16 -40.1 74.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.523 -1.361 . . . . 0.0 109.958 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' B' ' 30' ' ' LYS . 22.9 mt -68.26 -29.23 67.99 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.505 -0.747 . . . . 0.0 111.637 -178.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.26 -32.24 15.11 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 110.426 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -29.02 64.89 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -157.4 51.31 0.46 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.71 -0.619 . . . . 0.0 109.347 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -27.48 10.36 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -81.18 2.01 29.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.334 -1.098 . . . . 0.0 108.836 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.56 -152.02 0.08 OUTLIER Glycine 0 N--CA 1.478 1.453 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -151.6 146.63 25.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.974 . . . . 0.0 110.77 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.576 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.9 m -128.8 148.0 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.407 ' HA ' ' H ' ' B' ' 27' ' ' LYS . 48.8 p-10 -122.91 -161.38 0.95 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 1.1 p90 -60.22 -50.11 74.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.371 -0.831 . . . . 0.0 111.208 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.8 tm0? -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.818 -1.176 . . . . 0.0 109.567 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -72.64 -40.08 66.67 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -61.02 -33.43 73.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' ' 79' ' ' ALA . 38.3 t -77.65 -37.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 O-C-N 121.348 -0.845 . . . . 0.0 111.301 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.45 -42.98 73.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 120.728 -1.232 . . . . 0.0 111.111 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 77' ' ' LEU . 0.7 OUTLIER -72.73 -38.96 67.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.832 -1.168 . . . . 0.0 110.223 179.595 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 74' ' ' PHE . 46.3 t -71.09 -36.45 63.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.007 -1.058 . . . . 0.0 109.963 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.725 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.73 -38.89 92.28 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.562 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -68.09 -22.15 64.93 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.328 1.061 . . . . 0.0 108.665 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.41 ' O ' HD13 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -77.34 -39.97 45.76 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.736 -1.227 . . . . 0.0 108.574 179.632 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -68.59 -40.16 80.6 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.045 -1.034 . . . . 0.0 110.691 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.562 HG12 ' O ' ' B' ' 80' ' ' ALA . 9.2 p -60.05 -38.01 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.7 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -59.12 -21.68 59.67 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.635 ' C ' ' H ' ' B' ' 87' ' ' ASN . 3.4 m -140.15 63.36 1.48 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.657 ' ND2' ' CE1' ' A' ' 71' ' ' PHE . 20.6 m120 -64.97 38.02 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.635 ' H ' ' C ' ' B' ' 85' ' ' CYS . 11.2 m-20 -55.64 122.58 11.67 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.59 -0.694 . . . . 0.0 110.309 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -111.96 -55.93 2.45 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -88.6 -10.57 48.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.634 -0.666 . . . . 0.0 109.918 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -104.05 31.49 4.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.339 -0.85 . . . . 0.0 109.838 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -91.43 116.16 28.62 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.468 ' H ' ' HB2' ' B' ' 43' ' ' SER . 84.6 m-20 -80.12 148.35 31.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.685 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.032 -179.764 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -80.1 169.36 17.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -1.16 . . . . 0.0 109.702 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -41.37 91.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 0.0 111.078 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' CD2' HG11 ' B' ' 14' ' ' VAL . 63.4 mt -72.78 -51.46 18.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.606 -1.309 . . . . 0.0 109.985 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.09 -40.25 88.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.006 -1.059 . . . . 0.0 110.07 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -61.24 -40.0 92.38 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 110.605 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.461 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.34 -41.0 92.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 0.0 110.501 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtp -60.05 -38.54 83.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.172 -0.955 . . . . 0.0 110.214 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -40.01 88.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.131 -1.605 . . . . 0.0 108.264 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.27 -39.14 91.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.444 -0.785 . . . . 0.0 109.014 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 7' ' ' ALA . 9.0 mp -56.81 -39.87 74.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.534 -0.729 . . . . 0.0 109.426 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 HD13 ' CE2' ' A' ' 15' ' ' PHE . 35.6 mm -59.96 -46.12 94.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.909 -1.119 . . . . 0.0 110.002 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 0.0 110.784 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' B' ' 4' ' ' LEU . 44.2 t -62.98 -39.93 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 120.775 -1.203 . . . . 0.0 110.857 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' A' ' 19' ' ' SER . 2.8 m-30 -51.9 -37.6 53.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.434 -1.416 . . . . 0.0 107.514 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.9 t60 -56.69 -38.92 72.94 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.06 9.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.77 -1.206 . . . . 0.0 109.083 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -87.27 -45.96 10.14 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.07 -1.018 . . . . 0.0 110.595 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 15' ' ' PHE . 52.8 p -77.38 -38.85 49.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.069 -1.019 . . . . 0.0 111.537 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -50.96 -37.33 35.87 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -15.69 63.72 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.217 -1.166 . . . . 0.0 108.163 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' SER . 99.1 mt-10 -104.14 134.03 48.08 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.145 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.11 -6.98 6.15 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 22' ' ' GLU . 55.9 t0 -93.66 108.15 19.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.322 -1.105 . . . . 0.0 108.937 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -64.45 -39.67 94.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.374 -0.829 . . . . 0.0 109.659 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 27' ' ' LYS . 48.9 m-85 -51.34 169.99 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' TYR . 43.7 tptt -52.45 -93.92 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.586 -1.321 . . . . 0.0 108.855 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 179.05 -177.21 0.27 Allowed 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.763 -1.211 . . . . 0.0 110.425 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.16 146.56 14.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.718 ' O ' HD23 ' A' ' 61' ' ' LEU . 39.9 mtpt -59.97 -44.35 94.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.405 -0.81 . . . . 0.0 111.975 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.105 -1.622 . . . . 0.0 110.793 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -79.41 -27.68 41.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.027 -1.045 . . . . 0.0 109.819 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.7 tm? -59.69 -48.82 80.16 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.971 -1.081 . . . . 0.0 109.18 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HB2' HD22 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -65.77 -38.83 90.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.58 -1.325 . . . . 0.0 109.922 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.326 -1.484 . . . . 0.0 110.572 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.46 -57.23 4.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.862 -1.149 . . . . 0.0 112.463 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD13 ' CG2' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -71.88 -32.01 67.01 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.487 -1.383 . . . . 0.0 112.07 -177.411 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -60.05 -29.85 68.8 Favored 'General case' 0 C--N 1.281 -2.389 0 O-C-N 120.923 -1.111 . . . . 0.0 108.525 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -70.82 -40.07 72.69 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.149 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' OE1' ' HB2' ' B' ' 4' ' ' LEU . 3.8 pt-20 -85.3 -12.61 51.95 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.829 -1.17 . . . . 0.0 109.201 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.0 mt -100.88 17.35 22.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -60.11 -40.02 88.24 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 69.0 m -61.93 -39.96 93.87 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 28.0 m-85 -61.15 -39.99 92.16 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.14 -7.93 27.09 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 43' ' ' SER . 46.1 t0 -55.54 -38.6 69.49 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.618 HG11 HD22 ' A' ' 87' ' ' ASN . 3.9 p -145.84 87.45 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.877 -1.14 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.31 120.56 15.32 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.318 -0.864 . . . . 0.0 109.766 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.1 -64.35 1.21 Allowed 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -99.98 99.55 10.32 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -18.82 61.81 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.429 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -70.95 -38.56 72.83 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.569 -0.707 . . . . 0.0 109.456 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.21 54.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.98 -40.17 92.45 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.836 -0.54 . . . . 0.0 110.671 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -66.48 -39.5 88.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.2 -0.938 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.656 ' O ' HD12 ' A' ' 61' ' ' LEU . 81.6 mt -60.01 -49.35 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 108.986 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttm -60.05 -28.0 67.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.891 -0.506 . . . . 0.0 109.682 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.82 -38.5 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.281 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.82 -40.1 79.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.838 -1.164 . . . . 0.0 111.506 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 30' ' ' LYS . 2.2 mp -78.67 -21.63 47.98 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.55 -1.343 . . . . 0.0 110.015 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -86.96 -29.72 21.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.632 -1.292 . . . . 0.0 109.39 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -82.42 -28.64 31.24 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ASP . 83.7 m-20 -143.08 39.47 1.46 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.379 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -46.86 -18.47 0.4 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ASN . 96.0 m-20 -89.78 0.85 56.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.186 -1.184 . . . . 0.0 109.633 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.13 -157.48 2.53 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -145.56 152.54 39.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.718 -0.872 . . . . 0.0 109.736 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.8 m -136.97 150.74 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.339 -0.85 . . . . 0.0 109.078 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 5.5 m-20 -120.73 -158.25 0.75 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.295 -0.878 . . . . 0.0 110.589 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.76 84.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.718 -0.614 . . . . 0.0 111.859 -177.631 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.662 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.0 -27.87 65.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.6 -1.312 . . . . 0.0 109.551 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 48.9 mp0 -78.73 -40.01 34.72 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.534 -0.729 . . . . 0.0 109.376 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.495 ' CD2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -66.49 -39.28 88.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' B' ' 79' ' ' ALA . 55.7 t -74.89 -42.69 46.53 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 O-C-N 121.664 -0.648 . . . . 0.0 111.654 -177.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' B' ' 76' ' ' VAL . 54.4 t -70.22 -40.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.288 -0.883 . . . . 0.0 110.542 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt -70.77 -40.29 72.73 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.793 -0.567 . . . . 0.0 110.536 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.5 ' CG2' HD13 ' A' ' 37' ' ' LEU . 59.6 t -69.95 -40.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -62.21 -39.72 93.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.899 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.53 -39.6 88.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.593 0.711 . . . . 0.0 109.169 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 81' ' ' LEU . 5.5 tt -65.14 -40.31 94.25 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.611 -1.305 . . . . 0.0 109.707 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 86' ' ' ASN . 94.6 m -62.42 -39.99 95.08 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.014 -1.053 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 80' ' ' ALA . 2.8 p -50.37 -32.57 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.848 -1.157 . . . . 0.0 108.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.0 -22.62 61.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.982 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.595 ' C ' ' H ' ' A' ' 87' ' ' ASN . 87.1 m -131.04 21.18 4.9 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.222 -0.924 . . . . 0.0 109.564 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 82' ' ' THR . 48.8 t30 -60.09 5.93 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.988 -1.07 . . . . 0.0 109.698 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.618 HD22 HG11 ' A' ' 47' ' ' VAL . 59.3 t30 -46.22 107.07 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.3 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' A' ' 90' ' ' TRP . 58.1 t80 -59.96 -40.07 87.8 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.668 ' O ' ' N ' ' A' ' 91' ' ' GLU . 92.1 m-85 -73.38 20.41 0.09 Allowed 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.538 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -57.22 40.24 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.748 -0.595 . . . . 0.0 111.744 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 89' ' ' PHE . 18.4 pt-20 -76.22 133.8 40.03 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.592 -1.317 . . . . 0.0 108.922 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -80.45 159.98 25.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.547 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -80.64 169.68 17.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -1.187 . . . . 0.0 109.661 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.09 -41.17 91.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.833 . . . . 0.0 111.05 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.569 ' CD2' HG11 ' A' ' 14' ' ' VAL . 61.5 mt -73.16 -51.16 18.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.664 -1.273 . . . . 0.0 109.96 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.02 -40.59 89.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 109.995 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -61.14 -39.97 92.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.85 . . . . 0.0 110.561 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.465 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.71 -40.74 93.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.111 -0.993 . . . . 0.0 110.499 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.4 mtp -60.03 -38.59 83.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.071 -1.018 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.0 87.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.202 -1.561 . . . . 0.0 108.329 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -62.04 -39.52 92.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.417 -0.802 . . . . 0.0 109.051 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 7' ' ' ALA . 9.1 mp -56.65 -39.88 74.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.611 -0.681 . . . . 0.0 109.476 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.435 HD13 ' CE2' ' B' ' 15' ' ' PHE . 37.5 mm -59.88 -46.18 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.94 -1.1 . . . . 0.0 110.003 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -59.98 -39.99 87.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.008 . . . . 0.0 110.882 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.56 HG11 ' CD2' ' A' ' 4' ' ' LEU . 39.2 t -63.2 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.8 -1.188 . . . . 0.0 110.815 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.546 ' O ' ' N ' ' B' ' 19' ' ' SER . 2.7 m-30 -51.85 -37.56 52.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.45 -1.406 . . . . 0.0 107.535 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' B' ' 20' ' ' GLY . 71.9 t60 -56.72 -38.69 72.69 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.8 -57.08 9.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.802 -1.186 . . . . 0.0 109.067 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -87.51 -45.77 10.19 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.998 -1.064 . . . . 0.0 110.633 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 15' ' ' PHE . 53.6 p -77.29 -39.01 49.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.089 -1.007 . . . . 0.0 111.534 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -50.83 -37.36 35.1 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -15.66 63.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.124 -1.221 . . . . 0.0 108.227 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 19' ' ' SER . 99.1 mt-10 -104.28 134.14 48.0 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.054 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -7.06 6.32 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 22' ' ' GLU . 56.1 t0 -93.79 108.18 19.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -1.051 . . . . 0.0 108.893 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -64.5 -39.67 94.21 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.372 -0.83 . . . . 0.0 109.62 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' B' ' 27' ' ' LYS . 48.6 m-85 -51.38 169.95 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 44.0 tptt -52.35 -93.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.592 -1.318 . . . . 0.0 108.921 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.498 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 178.5 -177.16 0.24 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.754 -1.216 . . . . 0.0 110.33 178.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.04 146.46 14.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.032 -1.042 . . . . 0.0 110.321 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.72 ' O ' HD23 ' B' ' 61' ' ' LEU . 38.5 mtpt -60.04 -44.05 94.91 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.435 -0.79 . . . . 0.0 112.037 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -60.08 -39.92 87.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.109 -1.619 . . . . 0.0 110.778 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -79.63 -27.8 40.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.986 -1.071 . . . . 0.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.722 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.7 tm? -59.54 -49.12 79.01 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.874 -1.141 . . . . 0.0 109.138 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.572 ' HB2' HD22 ' B' ' 61' ' ' LEU . 0.6 OUTLIER -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.512 -1.368 . . . . 0.0 109.968 -179.547 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.93 -40.11 87.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.263 -1.523 . . . . 0.0 110.604 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.61 -57.05 4.74 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.888 -1.132 . . . . 0.0 112.459 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.511 HD13 ' CG2' ' B' ' 78' ' ' VAL . 0.9 OUTLIER -71.7 -32.19 67.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.512 -1.367 . . . . 0.0 112.15 -177.338 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.02 -30.02 68.89 Favored 'General case' 0 C--N 1.281 -2.375 0 O-C-N 121.03 -1.044 . . . . 0.0 108.505 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.6 m -70.78 -39.99 72.86 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.3 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.522 ' OE1' ' HB2' ' A' ' 4' ' ' LEU . 3.9 pt-20 -85.17 -12.84 51.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.891 -1.13 . . . . 0.0 109.129 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -100.77 17.46 21.96 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.338 -0.852 . . . . 0.0 109.899 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 67.8 m -61.83 -39.97 93.66 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 27.6 m-85 -61.29 -39.98 92.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.23 -7.75 26.31 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 43' ' ' SER . 46.2 t0 -55.57 -38.49 69.41 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.084 -1.01 . . . . 0.0 109.217 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.637 HG11 HD22 ' B' ' 87' ' ' ASN . 4.4 p -146.06 87.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 120.987 -1.071 . . . . 0.0 110.136 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.61 120.5 15.49 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 121.254 -0.904 . . . . 0.0 109.883 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.3 mmmp? -79.96 -64.35 1.21 Allowed 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.1 99.55 10.29 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.03 -18.82 61.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.532 -0.73 . . . . 0.0 109.376 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.2 -38.44 72.06 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 109.45 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.41 51.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 109.246 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -40.3 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 50.3 t0 -60.91 -40.01 91.51 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.083 0.468 . . . . 0.0 110.758 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -66.84 -39.4 87.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.977 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.653 ' O ' HD12 ' B' ' 61' ' ' LEU . 82.4 mt -59.94 -49.15 85.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.335 -0.853 . . . . 0.0 109.04 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttm -59.92 -28.34 67.52 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.822 -0.548 . . . . 0.0 109.698 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.31 -39.17 92.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.952 . . . . 0.0 110.249 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 98.8 mt-10 -68.66 -40.06 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.832 -1.167 . . . . 0.0 111.515 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.72 HD23 ' O ' ' B' ' 30' ' ' LYS . 2.2 mp -78.54 -21.86 48.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.421 -1.424 . . . . 0.0 110.033 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -86.81 -29.83 21.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.657 -1.277 . . . . 0.0 109.383 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -82.41 -28.46 31.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.565 -0.709 . . . . 0.0 109.137 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' B' ' 66' ' ' ASP . 83.2 m-20 -143.05 39.07 1.45 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.532 -0.73 . . . . 0.0 109.504 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -46.58 -18.8 0.39 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.1 m-20 -89.58 0.92 56.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.174 . . . . 0.0 109.632 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.18 -157.49 2.57 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -145.62 152.44 39.67 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.669 -0.9 . . . . 0.0 109.799 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.498 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.1 m -136.88 150.56 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.443 -0.785 . . . . 0.0 109.103 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.492 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 5.4 m-20 -120.56 -158.27 0.74 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.3 -0.875 . . . . 0.0 110.624 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.671 -0.643 . . . . 0.0 111.703 -177.587 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.655 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.03 -27.91 65.05 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.566 -1.334 . . . . 0.0 109.435 -179.438 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 48.4 mp0 -78.46 -40.04 36.76 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.428 -0.795 . . . . 0.0 109.554 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.492 ' CD2' HG23 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.63 -39.06 88.12 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 79' ' ' ALA . 54.5 t -74.94 -42.8 46.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 O-C-N 121.714 -0.617 . . . . 0.0 111.508 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' A' ' 76' ' ' VAL . 54.5 t -70.01 -40.37 78.46 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.252 -0.905 . . . . 0.0 110.602 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -71.3 -40.08 71.07 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.656 -0.652 . . . . 0.0 110.469 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.511 ' CG2' HD13 ' B' ' 37' ' ' LEU . 53.7 t -70.09 -39.88 77.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.179 -0.951 . . . . 0.0 109.333 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.569 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.19 -39.86 94.13 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.865 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.49 -39.84 89.15 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.578 0.704 . . . . 0.0 109.233 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 81' ' ' LEU . 5.4 tt -64.75 -40.98 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.586 -1.321 . . . . 0.0 109.767 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.56 ' O ' ' N ' ' B' ' 86' ' ' ASN . 95.0 m -61.81 -39.99 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 110.308 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.865 HG12 ' O ' ' B' ' 80' ' ' ALA . 2.4 p -50.39 -32.55 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.808 -1.182 . . . . 0.0 108.084 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.19 -22.65 61.24 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.969 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.583 ' C ' ' H ' ' B' ' 87' ' ' ASN . 83.4 m -131.02 21.26 4.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -178.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' B' ' 82' ' ' THR . 47.8 t30 -60.19 5.84 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.016 -1.053 . . . . 0.0 109.653 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.637 HD22 HG11 ' B' ' 47' ' ' VAL . 59.2 t30 -46.24 107.02 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.0 110.393 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.507 ' C ' ' H ' ' B' ' 90' ' ' TRP . 56.5 t80 -59.96 -40.08 87.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.652 ' O ' ' N ' ' B' ' 91' ' ' GLU . 92.2 m-85 -73.39 20.54 0.09 Allowed 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.538 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -57.37 39.71 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.633 -0.667 . . . . 0.0 111.67 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.652 ' N ' ' O ' ' B' ' 89' ' ' PHE . 18.5 pt-20 -75.4 134.42 40.93 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.69 -1.256 . . . . 0.0 108.842 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -80.48 160.0 25.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.139 -0.976 . . . . 0.0 109.436 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.438 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.623 2.609 . . . . 0.0 119.623 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -86.9 52.48 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.306 -1.114 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' CG ' HG22 ' B' ' 14' ' ' VAL . 53.2 tp10 -63.32 -39.99 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.504 -0.748 . . . . 0.0 110.289 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -38.77 92.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 110.948 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.539 -1.351 . . . . 0.0 109.48 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -62.77 -40.11 96.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.276 -0.89 . . . . 0.0 111.116 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' B' ' 11' ' ' LEU . . . -68.91 -46.43 68.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.009 -1.057 . . . . 0.0 111.358 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ttt -61.35 -38.44 86.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.954 -1.091 . . . . 0.0 109.982 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.384 -1.447 . . . . 0.0 107.791 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -63.17 -36.5 83.83 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 8.6 mp -59.84 -40.03 87.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.494 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.12 -42.26 89.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.867 -1.146 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.89 -40.01 91.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.164 -0.96 . . . . 0.0 111.089 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG22 ' CG ' ' B' ' 3' ' ' GLU . 16.9 t -69.43 -36.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.903 -1.123 . . . . 0.0 110.67 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.9 m-30 -52.08 -39.95 60.49 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 68.0 t60 -61.97 -31.64 72.01 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.427 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.74 -57.57 9.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.676 -1.265 . . . . 0.0 109.236 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.02 -43.23 24.71 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.953 -1.092 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -75.28 -20.19 59.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.912 -1.118 . . . . 0.0 111.019 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -57.74 -35.83 76.29 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -71.02 -8.44 53.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.957 -1.319 . . . . 0.0 109.475 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.65 137.82 39.46 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.09 -42.87 82.84 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.22 139.97 30.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -1.106 . . . . 0.0 108.788 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.57 -9.0 58.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.232 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -55.74 153.99 7.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 108.987 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.593 ' HB3' HG23 ' A' ' 69' ' ' VAL . 48.1 tptt -49.83 -93.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.121 -0.987 . . . . 0.0 108.949 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 177.46 -177.14 0.18 Allowed 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.023 -1.048 . . . . 0.0 110.455 179.288 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -54.53 145.03 19.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.45 -1.406 . . . . 0.0 110.858 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.66 -41.34 73.5 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.365 -0.834 . . . . 0.0 111.043 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' GLY . 47.2 tptt -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.141 -1.599 . . . . 0.0 110.984 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -73.84 -26.04 60.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.841 -1.162 . . . . 0.0 109.37 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -59.95 -40.04 87.65 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.941 -1.1 . . . . 0.0 109.454 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.945 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -76.07 -48.38 21.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.044 -1.035 . . . . 0.0 111.894 -178.48 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.55 -38.19 86.55 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 120.144 -1.598 . . . . 0.0 109.269 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.32 -55.69 19.56 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.505 -0.747 . . . . 0.0 111.265 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.03 -39.97 75.45 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.614 -1.304 . . . . 0.0 111.924 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 2.9 pp0? -58.32 -28.3 64.93 Favored 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.843 -1.161 . . . . 0.0 108.296 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.29 -40.02 52.68 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.83 0.824 . . . . 0.0 108.994 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -79.82 -9.75 59.7 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.411 0.624 . . . . 0.0 109.326 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -113.66 28.8 8.48 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -60.05 -40.38 89.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.582 -0.699 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -66.37 -28.25 68.5 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 108.775 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.84 -39.99 79.67 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.31 -7.73 4.78 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 43.5 t0 -49.21 -32.09 9.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 0.0 108.824 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.79 93.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.981 -1.074 . . . . 0.0 110.113 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.33 108.74 3.33 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.401 -0.812 . . . . 0.0 108.943 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 84' ' ' ALA . 66.1 mmtt -80.13 -69.51 0.59 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.695 -0.628 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -99.96 100.78 11.72 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.165 -0.96 . . . . 0.0 110.222 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.37 -24.75 63.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 109.183 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -63.7 -40.07 95.88 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.474 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.71 -51.65 67.53 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.507 ' O ' ' SD ' ' A' ' 58' ' ' MET . 51.2 t -51.3 -37.51 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -62.13 -40.02 94.51 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.356 0.598 . . . . 0.0 109.821 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -63.74 -42.21 97.91 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.911 0.862 . . . . 0.0 109.466 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.04 -43.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.705 -0.622 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.79 -29.49 69.47 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.11 -46.65 88.91 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 110.235 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.67 -40.18 96.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.016 -1.052 . . . . 0.0 111.153 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 10.5 mt -65.63 -24.83 67.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.919 -1.113 . . . . 0.0 108.032 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.81 -29.17 32.77 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.1 88.16 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.18 76.99 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -51.18 -25.83 11.8 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 67' ' ' GLY . 35.0 p-10 -89.42 0.94 56.48 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.658 -0.907 . . . . 0.0 109.094 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -61.98 -150.72 0.02 OUTLIER Glycine 0 N--CA 1.479 1.525 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.1 158.86 44.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.166 -1.196 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.658 HG21 HD12 ' A' ' 33' ' ' LEU . 3.1 m -143.39 158.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 29.2 t0 -128.55 -157.46 0.82 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.442 -0.786 . . . . 0.0 109.985 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.1 p90 -60.0 -44.74 94.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 112.853 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.647 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.1 tt0 -78.01 -26.26 48.41 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.522 -1.362 . . . . 0.0 109.565 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.0 mt-10 -80.31 -40.0 27.63 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 118.916 -1.113 . . . . 0.0 110.346 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -77.4 -35.83 53.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.907 -1.121 . . . . 0.0 108.542 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 71' ' ' PHE . 70.1 t -71.02 -40.67 76.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.147 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.6 t -70.24 -39.93 77.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 109.88 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.8 -37.82 82.5 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.707 -0.62 . . . . 0.0 110.219 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.0 t -69.32 -39.89 79.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.398 -0.814 . . . . 0.0 109.117 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.84 87.42 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.2 -39.93 88.27 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.9 tt -63.6 -34.78 78.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.938 -1.101 . . . . 0.0 108.898 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.4 m -59.97 -33.94 72.62 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.812 -1.18 . . . . 0.0 108.687 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.98 -38.54 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.3 -20.98 63.89 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.595 ' C ' ' H ' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -141.89 60.19 1.47 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -68.84 42.33 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.595 ' H ' ' C ' ' A' ' 85' ' ' CYS . 34.8 p-10 -53.92 144.65 18.27 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.586 0.708 . . . . 0.0 111.052 -178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -138.72 -61.11 0.58 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.34 -10.32 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.42 -0.8 . . . . 0.0 109.31 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.5 m-90 -88.7 45.04 1.25 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.248 -0.907 . . . . 0.0 109.574 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.0 145.9 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.617 -0.677 . . . . 0.0 109.195 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -69.99 159.51 33.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.499 -179.757 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.88 0 N-CA-C 119.538 2.575 . . . . 0.0 119.538 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -87.2 52.85 2.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.291 -1.123 . . . . 0.0 109.221 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.443 ' CG ' HG22 ' A' ' 14' ' ' VAL . 53.3 tp10 -63.4 -39.97 95.93 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.534 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.43 -38.7 91.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.992 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.398 -1.439 . . . . 0.0 109.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -62.75 -40.02 95.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 111.076 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 11' ' ' LEU . . . -69.07 -46.8 66.91 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.983 -1.073 . . . . 0.0 111.177 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttt -60.94 -38.66 86.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 0.0 110.024 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.72 -40.05 86.7 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.482 -1.387 . . . . 0.0 107.783 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.39 -36.27 83.15 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 8.6 mp -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 0.0 109.494 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -42.23 89.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.92 -1.113 . . . . 0.0 109.593 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.9 -40.09 91.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -0.909 . . . . 0.0 111.073 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.425 HG22 ' CG ' ' A' ' 3' ' ' GLU . 15.4 t -69.48 -36.44 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.847 -1.158 . . . . 0.0 110.76 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.8 m-30 -51.97 -39.97 60.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' B' ' 20' ' ' GLY . 67.8 t60 -62.09 -31.6 72.05 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.424 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.78 -57.55 9.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.709 -1.244 . . . . 0.0 109.175 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.14 -43.08 24.75 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.947 -1.095 . . . . 0.0 110.614 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -75.23 -20.15 59.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.884 -1.135 . . . . 0.0 111.046 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -57.69 -36.14 77.34 Favored Glycine 0 N--CA 1.488 2.13 0 C-N-CA 119.626 -1.274 . . . . 0.0 110.109 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -70.95 -8.06 50.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.008 -1.289 . . . . 0.0 109.551 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -102.0 137.74 39.89 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.89 -42.7 80.65 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.14 139.96 30.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -1.127 . . . . 0.0 108.945 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.52 -9.09 58.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.141 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -55.9 153.71 8.25 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 109.034 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.574 ' HB3' HG23 ' B' ' 69' ' ' VAL . 47.7 tptt -49.49 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.052 -1.03 . . . . 0.0 108.85 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.615 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.28 -177.15 0.17 Allowed 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.958 -1.089 . . . . 0.0 110.434 179.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -54.43 144.96 19.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.416 -1.427 . . . . 0.0 110.831 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -55.56 -41.46 73.32 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.408 -0.807 . . . . 0.0 111.041 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 65' ' ' GLY . 44.6 tptt -59.97 -48.39 81.9 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.095 -1.628 . . . . 0.0 111.027 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -73.89 -25.89 60.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.81 -1.181 . . . . 0.0 109.337 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.938 HD23 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 0.0 109.679 179.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.938 ' N ' HD23 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -76.3 -48.28 20.66 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.987 -1.071 . . . . 0.0 111.893 -178.504 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 -37.66 84.77 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.2 -1.562 . . . . 0.0 109.282 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.91 -55.59 18.38 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.459 -0.776 . . . . 0.0 111.254 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.0 -39.92 75.6 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.568 -1.333 . . . . 0.0 111.966 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.432 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 2.9 pp0? -58.34 -28.28 64.94 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.944 -1.097 . . . . 0.0 108.381 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.1 m -76.26 -40.0 52.93 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.843 0.83 . . . . 0.0 109.028 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -79.87 -9.75 59.7 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.76 29.23 8.15 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.148 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 82.9 p -66.1 -28.79 69.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 108.708 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -68.4 -39.97 81.47 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.49 -7.65 4.93 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 43.4 t0 -49.24 -32.07 9.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 108.765 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.79 92.69 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.971 -1.08 . . . . 0.0 110.284 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -67.87 108.38 2.99 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.287 -0.883 . . . . 0.0 109.185 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' O ' ' B' ' 84' ' ' ALA . 65.9 mmtt -80.04 -69.66 0.57 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -100.04 101.02 11.98 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.056 -1.027 . . . . 0.0 110.129 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -24.57 62.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 109.065 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.94 -40.02 95.49 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.54 -51.66 67.66 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.505 ' O ' ' SD ' ' B' ' 58' ' ' MET . 52.9 t -51.46 -36.97 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.66 -39.93 95.47 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.255 0.55 . . . . 0.0 109.685 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.68 -42.46 98.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.967 0.889 . . . . 0.0 109.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.46 -44.18 95.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.612 -0.68 . . . . 0.0 110.727 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.68 -29.77 69.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.179 -0.95 . . . . 0.0 109.164 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.58 -40.17 96.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.97 -1.081 . . . . 0.0 111.218 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' B' ' 61' ' ' LEU . 10.5 mt -65.64 -24.92 67.15 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -81.74 -29.07 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.06 -40.0 87.92 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.34 76.55 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -50.91 -26.11 10.69 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.364 -1.895 . . . . 0.0 108.364 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 67' ' ' GLY . 34.8 p-10 -88.94 0.77 56.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.7 -0.883 . . . . 0.0 109.077 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -61.88 -150.46 0.02 OUTLIER Glycine 0 N--CA 1.48 1.601 0 N-CA-C 107.958 -2.057 . . . . 0.0 107.958 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.39 159.18 43.99 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.044 -1.268 . . . . 0.0 110.917 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.661 HG21 HD12 ' B' ' 33' ' ' LEU . 2.9 m -143.67 158.39 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.529 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 27.8 t0 -128.63 -157.79 0.84 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.431 -0.793 . . . . 0.0 109.922 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.651 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.7 p90 -60.03 -44.39 94.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.774 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.651 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.9 tt0 -78.09 -26.18 47.97 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.535 -1.353 . . . . 0.0 109.614 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -80.54 -39.9 26.95 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.262 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -77.71 -35.41 52.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.889 -1.132 . . . . 0.0 108.419 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 71' ' ' PHE . 68.9 t -71.1 -40.86 75.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.132 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.9 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.419 -0.8 . . . . 0.0 109.921 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.05 -37.9 81.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.384 0.612 . . . . 0.0 110.195 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.06 -39.94 80.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 109.229 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.546 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.0 -40.34 88.87 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 81' ' ' LEU . 1.9 tt -63.26 -34.7 78.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.898 -1.126 . . . . 0.0 108.94 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -60.04 -34.12 72.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.664 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.575 ' CG2' ' OE1' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -59.99 -38.55 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.33 -20.87 63.87 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.591 ' C ' ' H ' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -141.96 60.23 1.47 Allowed 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.715 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -68.83 42.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.591 ' H ' ' C ' ' B' ' 85' ' ' CYS . 34.8 p-10 -54.1 144.55 19.25 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.714 . . . . 0.0 110.989 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -138.53 -61.21 0.59 Allowed 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.33 -10.05 45.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.388 -0.82 . . . . 0.0 109.303 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -89.15 45.14 1.26 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.247 -0.908 . . . . 0.0 109.664 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.9 146.2 51.41 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.27 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -69.95 159.27 34.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.258 -0.901 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.441 -179.825 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -95.69 167.76 11.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.258 -1.142 . . . . 0.0 109.107 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.22 -50.06 75.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 110.371 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.913 HD21 HG13 ' B' ' 14' ' ' VAL . 3.7 mm? -74.88 -44.75 47.18 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.886 -1.134 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.62 -41.35 94.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.063 -1.023 . . . . 0.0 110.044 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.0 m -60.25 -40.37 90.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 0.0 110.363 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.13 96.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.3 -0.875 . . . . 0.0 109.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -62.05 -40.93 97.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.815 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.57 -40.14 90.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.346 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.8 m -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.396 -0.815 . . . . 0.0 110.575 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.261 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.07 -40.83 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.814 -1.179 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.39 -31.51 72.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 0.0 110.079 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.869 HG13 HD21 ' B' ' 4' ' ' LEU . 62.7 t -59.93 -49.63 83.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.654 -1.279 . . . . 0.0 110.447 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.7 m-85 -57.31 -24.44 55.04 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.03 -40.08 88.13 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.584 0.707 . . . . 0.0 109.493 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.45 -59.08 3.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.341 -0.849 . . . . 0.0 112.209 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.29 -63.03 1.37 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.73 -1.231 . . . . 0.0 111.899 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 21' ' ' LYS . 64.6 m -72.64 -13.13 61.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.347 -0.846 . . . . 0.0 111.639 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' PHE . . . -66.18 15.22 0.28 Allowed Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.512 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 23' ' ' GLY . 4.6 tmtt? -75.69 11.9 1.2 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.942 -1.328 . . . . 0.0 107.756 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 20' ' ' GLY . 34.5 tt0 60.67 -4.95 0.11 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -76.28 -85.94 0.37 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -100.81 105.03 16.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.507 -0.996 . . . . 0.0 108.581 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.74 -39.96 95.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.838 -1.164 . . . . 0.0 109.258 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 27' ' ' LYS . 7.1 m-85 -52.58 171.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.725 ' HB3' HG23 ' A' ' 69' ' ' VAL . 17.7 tptp -51.88 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.389 -1.444 . . . . 0.0 108.434 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.55 -178.53 0.21 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.722 -1.236 . . . . 0.0 110.257 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -47.7 144.66 3.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.948 -1.095 . . . . 0.0 109.324 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 10.3 mtmm -60.06 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.979 -1.075 . . . . 0.0 109.988 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -55.19 -41.3 71.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.126 . . . . 0.0 110.877 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 tp10 -72.14 -34.93 68.91 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.927 -1.108 . . . . 0.0 109.12 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -60.09 -44.67 94.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.0 . . . . 0.0 110.714 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.6 tptp -69.91 -39.9 75.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.064 -1.648 . . . . 0.0 111.103 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -63.99 -39.85 95.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.649 -1.282 . . . . 0.0 109.573 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -68.13 -56.55 8.38 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.871 -0.518 . . . . 0.0 111.868 -177.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.66 -39.94 64.07 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.482 -1.386 . . . . 0.0 112.174 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -53.43 -30.79 42.24 Favored 'General case' 0 C--N 1.287 -2.138 0 O-C-N 121.077 -1.015 . . . . 0.0 108.301 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -74.66 -41.0 61.11 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.721 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -73.45 -30.73 63.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 108.805 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.2 mt -95.82 27.62 3.44 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.709 0.766 . . . . 0.0 108.983 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.83 -40.01 87.02 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.426 -0.796 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 44.2 m -59.79 -27.81 66.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.02 -1.05 . . . . 0.0 109.235 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 29.0 m-85 -63.79 -16.64 61.73 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 117.909 -1.517 . . . . 0.0 107.214 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.99 -4.2 42.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' SER . 92.2 m-20 -59.92 -39.87 86.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.674 -0.641 . . . . 0.0 109.871 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 47' ' ' VAL . 2.8 p -146.89 75.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.027 -1.046 . . . . 0.0 110.168 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.18 116.97 8.57 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 84' ' ' ALA . 20.1 mtpt -97.05 -66.66 0.89 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.826 -0.546 . . . . 0.0 110.65 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -94.46 96.09 9.27 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.661 -1.275 . . . . 0.0 109.511 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.82 61.93 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.151 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.4 -40.01 77.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.87 -52.53 42.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.252 -0.905 . . . . 0.0 109.19 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.657 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.3 t -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -60.84 -40.17 91.82 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.59 -0.694 . . . . 0.0 109.971 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.21 -38.57 88.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.093 -1.004 . . . . 0.0 109.011 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 54' ' ' VAL . 59.2 mt -59.08 -39.93 79.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.13 -0.981 . . . . 0.0 109.407 178.664 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.2 -40.02 92.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.173 -0.954 . . . . 0.0 110.847 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.93 -40.57 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.633 -1.292 . . . . 0.0 110.882 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -70.04 -30.22 67.45 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.156 -0.965 . . . . 0.0 111.292 -179.221 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.99 -28.92 16.11 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.962 -1.086 . . . . 0.0 111.434 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.2 -34.01 74.22 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.126 -0.984 . . . . 0.0 108.383 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -159.55 67.82 0.4 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.59 -23.1 54.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 43.2 t0 -80.37 -2.68 46.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -1.099 . . . . 0.0 109.376 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.5 0.18 Allowed Glycine 0 N--CA 1.484 1.878 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -157.72 158.48 35.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -1.13 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.725 HG23 ' HB3' ' A' ' 27' ' ' LYS . 15.6 m -129.91 147.9 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.512 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 5.8 m-20 -121.6 -171.76 2.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.409 -0.807 . . . . 0.0 109.612 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.708 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 37.7 p90 -49.39 -54.18 18.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.668 -0.645 . . . . 0.0 112.026 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.708 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.07 -27.99 65.06 Favored 'General case' 0 C--N 1.289 -2.034 0 O-C-N 120.848 -1.157 . . . . 0.0 109.865 -178.603 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 47.1 tt0 -81.43 -36.2 29.73 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.394 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -70.05 -34.98 73.92 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.2 -42.43 51.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 O-C-N 121.576 -0.703 . . . . 0.0 111.172 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.06 -41.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 O-C-N 121.442 -0.786 . . . . 0.0 110.705 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.95 -38.45 76.14 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.631 -0.668 . . . . 0.0 110.421 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 74' ' ' PHE . 76.5 t -70.01 -39.9 77.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 108.787 -178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -59.97 -39.89 87.18 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD1' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 tt -61.81 -40.04 93.85 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.938 -1.101 . . . . 0.0 109.303 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -60.13 -39.23 85.56 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.245 -0.909 . . . . 0.0 109.724 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -55.24 -33.89 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.978 . . . . 0.0 108.454 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.657 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.87 -22.08 63.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.583 -0.698 . . . . 0.0 109.403 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.626 ' C ' ' H ' ' A' ' 87' ' ' ASN . 14.3 t -144.53 62.46 1.33 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -68.32 37.98 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.773 -1.204 . . . . 0.0 108.032 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.626 ' H ' ' C ' ' A' ' 85' ' ' CYS . 29.9 p30 -41.27 112.23 0.29 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.538 0.685 . . . . 0.0 111.302 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -93.68 -68.35 0.81 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.42 -40.76 96.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.479 -0.763 . . . . 0.0 109.528 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 12.9 m-90 -85.81 52.27 2.43 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.467 -0.771 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.66 146.79 53.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.198 -0.939 . . . . 0.0 109.497 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -68.48 155.79 39.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.439 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--N 1.302 -1.468 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.224 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.897 0 N-CA-C 119.414 2.525 . . . . 0.0 119.414 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.93 167.7 11.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.229 -1.159 . . . . 0.0 109.145 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.869 HD21 HG13 ' A' ' 14' ' ' VAL . 3.7 mm? -75.06 -44.79 45.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.843 -1.16 . . . . 0.0 110.053 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.74 -41.42 95.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.932 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -60.17 -40.9 91.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.063 -1.023 . . . . 0.0 110.221 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.99 94.31 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.165 -0.959 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.28 -40.53 96.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.866 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.01 -40.03 92.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.353 -0.842 . . . . 0.0 110.095 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -59.98 -40.1 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.862 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.149 -0.969 . . . . 0.0 109.165 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.01 -40.83 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.858 -1.151 . . . . 0.0 108.992 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -62.56 -31.32 72.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 0.0 110.089 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.913 HG13 HD21 ' A' ' 4' ' ' LEU . 57.7 t -60.0 -49.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.662 -1.274 . . . . 0.0 110.397 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 8.3 m-85 -57.57 -24.44 56.23 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 109.584 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.26 -59.42 2.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.277 -0.889 . . . . 0.0 112.191 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -86.56 -63.24 1.34 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.756 -1.215 . . . . 0.0 112.01 -178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.528 ' C ' ' H ' ' B' ' 21' ' ' LYS . 69.6 m -72.53 -13.18 61.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 111.742 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 15' ' ' PHE . . . -66.12 15.37 0.27 Allowed Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.444 -178.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' B' ' 23' ' ' GLY . 4.7 tmtt? -75.54 11.48 1.28 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.98 -1.306 . . . . 0.0 107.897 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' B' ' 20' ' ' GLY . 34.5 tt0 60.93 -5.0 0.12 Allowed 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.664 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -76.43 -85.62 0.39 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 33.2 p-10 -100.94 104.98 16.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.35 -1.088 . . . . 0.0 108.515 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.95 -39.97 96.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.806 -1.183 . . . . 0.0 109.291 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' B' ' 27' ' ' LYS . 7.3 m-85 -52.2 171.26 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.708 ' HB3' HG23 ' B' ' 69' ' ' VAL . 19.1 tptp -52.3 -89.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.362 -1.461 . . . . 0.0 108.414 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 -178.35 0.23 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.687 -1.258 . . . . 0.0 110.445 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.4 p -47.85 144.67 3.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.048 -1.033 . . . . 0.0 109.252 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 10.8 mtmm -59.97 -50.47 73.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.129 -0.982 . . . . 0.0 110.061 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -54.75 -41.29 70.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 110.996 -177.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -72.35 -34.88 68.32 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.846 -1.159 . . . . 0.0 108.939 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.74 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.3 tm? -60.04 -44.62 94.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.043 -1.036 . . . . 0.0 110.635 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.465 ' N ' HD13 ' B' ' 33' ' ' LEU . 4.0 tptp -69.88 -40.11 75.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.022 -1.674 . . . . 0.0 110.974 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.579 -1.326 . . . . 0.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.33 -56.45 8.52 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.766 -0.583 . . . . 0.0 111.944 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.52 -40.06 64.3 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.481 -1.387 . . . . 0.0 112.078 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -53.38 -30.59 40.58 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.028 -1.045 . . . . 0.0 108.196 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.0 m -74.77 -41.28 60.34 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -73.34 -30.78 63.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.0 108.759 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.3 mt -95.7 27.67 3.37 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.739 0.78 . . . . 0.0 109.005 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -59.87 -40.0 87.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.325 -0.86 . . . . 0.0 110.77 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 44.7 m -59.45 -28.33 66.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.025 -1.047 . . . . 0.0 109.242 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.55 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 29.9 m-85 -63.35 -16.97 62.05 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 118.039 -1.464 . . . . 0.0 107.341 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.85 -4.07 41.76 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' B' ' 43' ' ' SER . 92.2 m-20 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.546 -0.721 . . . . 0.0 109.874 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.49 ' O ' HG22 ' B' ' 47' ' ' VAL . 3.1 p -146.81 75.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.085 -1.009 . . . . 0.0 110.081 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.76 117.27 9.45 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.9 mtpt -97.26 -66.28 0.91 Allowed 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.854 -0.529 . . . . 0.0 110.684 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -94.58 95.66 8.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.827 -1.171 . . . . 0.0 109.566 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.01 -15.97 62.05 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.13 -39.95 78.58 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.515 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -67.11 -52.33 43.13 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.239 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.664 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.3 t -58.34 -35.63 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 52.8 t0 -60.76 -40.05 91.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.974 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.51 -38.41 87.15 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.039 -1.038 . . . . 0.0 109.116 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.11 -39.98 79.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.27 -31.06 69.87 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.123 -0.986 . . . . 0.0 109.405 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.3 -39.99 92.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.211 -0.931 . . . . 0.0 110.959 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.93 -40.56 75.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.67 -1.269 . . . . 0.0 110.783 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.571 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -70.02 -30.13 67.35 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.115 -0.99 . . . . 0.0 111.285 -179.228 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -93.04 -28.89 16.1 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.102 -0.999 . . . . 0.0 111.565 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.27 -33.94 73.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -159.7 67.67 0.39 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.06 -23.54 52.3 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 41.8 t0 -80.19 -3.18 47.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -1.08 . . . . 0.0 109.468 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -147.07 0.18 Allowed Glycine 0 N--CA 1.483 1.824 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.01 158.27 34.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -1.105 . . . . 0.0 110.8 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' B' ' 27' ' ' LYS . 14.4 m -129.41 148.15 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.491 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 5.4 m-20 -121.81 -171.59 2.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.318 -0.864 . . . . 0.0 109.485 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 37.9 p90 -49.64 -53.84 21.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.643 -0.661 . . . . 0.0 112.144 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.2 -27.8 64.78 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 120.807 -1.183 . . . . 0.0 110.003 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.491 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 43.9 tt0 -81.66 -36.06 29.21 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.392 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -69.9 -35.46 74.62 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -73.71 -42.8 54.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 121.613 -0.679 . . . . 0.0 111.256 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.93 -40.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 O-C-N 121.364 -0.835 . . . . 0.0 110.753 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.94 -39.13 76.27 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.605 -0.684 . . . . 0.0 110.34 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 74' ' ' PHE . 76.3 t -69.42 -39.87 79.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.26 -0.9 . . . . 0.0 109.003 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.94 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.57 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.0 -40.1 88.02 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.68 -40.01 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.879 -1.138 . . . . 0.0 109.356 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -60.1 -39.39 85.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 109.761 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.57 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -55.06 -33.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 0.0 108.336 -179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.664 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -69.64 -22.0 63.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.622 -0.674 . . . . 0.0 109.577 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.646 ' C ' ' H ' ' B' ' 87' ' ' ASN . 13.8 t -144.65 62.43 1.32 Allowed 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -68.14 37.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.658 -1.276 . . . . 0.0 108.016 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.646 ' H ' ' C ' ' B' ' 85' ' ' CYS . 29.5 p30 -40.98 112.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.415 0.626 . . . . 0.0 111.328 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -93.74 -67.92 0.83 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.65 -41.03 96.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.597 -0.689 . . . . 0.0 109.35 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -85.71 52.46 2.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.416 -0.803 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 147.34 51.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.195 -0.941 . . . . 0.0 109.327 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -69.42 155.76 39.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.418 -0.801 . . . . 0.0 109.412 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.303 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.831 2.692 . . . . 0.0 119.831 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.903 ' HB2' ' OE2' ' B' ' 40' ' ' GLU . 4.6 t -90.64 163.3 14.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.149 -1.206 . . . . 0.0 110.157 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.81 -39.95 90.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.447 -0.783 . . . . 0.0 109.66 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.568 HD21 ' CZ ' ' B' ' 74' ' ' PHE . 3.3 tp -72.45 -54.25 9.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.453 -0.779 . . . . 0.0 110.206 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 1.038 ' OE1' HD23 ' B' ' 41' ' ' LEU . 24.4 tp10 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.028 -1.045 . . . . 0.0 109.947 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.055 -1.028 . . . . 0.0 109.958 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 0.0 110.651 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 tpt -60.1 -42.08 93.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.914 -1.116 . . . . 0.0 110.143 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.047 -1.033 . . . . 0.0 108.482 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.99 -39.52 86.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.643 -0.661 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.94 -39.89 87.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.796 -1.19 . . . . 0.0 109.856 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.09 -44.46 98.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 120.905 -1.122 . . . . 0.0 109.968 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.28 -0.888 . . . . 0.0 111.76 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t -71.76 -37.95 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.536 -1.353 . . . . 0.0 111.146 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.16 -39.43 63.57 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 20' ' ' GLY . 55.4 m-70 -60.05 -36.54 77.53 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.83 -56.65 9.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.794 -1.192 . . . . 0.0 109.132 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.91 -49.9 11.24 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.892 -1.13 . . . . 0.0 110.192 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' GLU . 37.2 m -66.4 -40.04 89.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.219 -0.925 . . . . 0.0 111.156 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -48.12 -26.89 4.89 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -8.5 55.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -1.214 . . . . 0.0 108.414 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' SER . 87.1 tt0 -98.9 139.8 34.03 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.96 95.75 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' H ' ' HG2' ' A' ' 22' ' ' GLU . 88.5 m-20 -81.87 140.09 34.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.427 -1.043 . . . . 0.0 108.896 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.88 -14.37 59.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.847 . . . . 0.0 110.621 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.3 m-85 -63.4 158.03 21.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HB3' HG23 ' A' ' 69' ' ' VAL . 26.3 tptt -49.24 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.656 -1.277 . . . . 0.0 109.461 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER 176.45 -176.96 0.13 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.555 -1.34 . . . . 0.0 110.405 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -49.14 147.86 2.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.718 -1.239 . . . . 0.0 109.654 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 3.8 mtmt -59.97 -50.62 73.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.465 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.71 -47.55 63.91 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.157 -1.589 . . . . 0.0 111.099 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -68.14 -39.99 82.53 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.826 -1.171 . . . . 0.0 109.354 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.928 HD22 HG21 ' A' ' 69' ' ' VAL . 2.2 tp -48.12 -46.57 34.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.848 -1.157 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -67.2 -39.72 86.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.788 -1.195 . . . . 0.0 110.884 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.787 -1.196 . . . . 0.0 110.294 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.51 -55.88 10.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.117 -0.99 . . . . 0.0 112.112 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.82 72.01 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.504 -1.372 . . . . 0.0 112.003 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.02 -28.7 67.96 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -76.51 -40.0 51.43 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.516 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.901 ' OE2' ' HB2' ' B' ' 2' ' ' SER . 4.0 tp10 -80.68 -16.16 54.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.087 -1.008 . . . . 0.0 109.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.06 HD23 ' OE1' ' B' ' 5' ' ' GLU . 15.9 mt -108.33 32.15 5.03 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.1 m -59.96 -39.98 87.46 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.154 -0.967 . . . . 0.0 110.637 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 73.5 m -60.02 -36.97 78.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' HE2' ' OE2' ' B' ' 5' ' ' GLU . 31.6 m-85 -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.701 -1.2 . . . . 0.0 108.421 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.9 mm? -67.64 -3.43 9.01 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 43' ' ' SER . 52.8 t0 -55.86 -39.49 71.55 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 108.778 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.4 87.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.207 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -66.51 115.37 6.32 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.923 0.868 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 84' ' ' ALA . 21.2 mmmt -79.94 -70.0 0.55 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -100.01 102.82 14.29 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 122.127 0.965 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.93 -13.34 60.52 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.93 -39.98 75.8 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -70.61 -53.8 14.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.922 -1.111 . . . . 0.0 108.574 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.627 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.5 t -52.79 -35.69 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.73 -39.97 93.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.658 . . . . 0.0 109.416 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -41.36 99.14 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.067 0.937 . . . . 0.0 109.342 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 80' ' ' ALA . 80.4 mt -60.08 -42.7 90.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.752 . . . . 0.0 109.876 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 mmt -60.82 -23.67 65.26 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.113 -0.992 . . . . 0.0 109.199 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.52 -41.72 88.36 Favored 'General case' 0 C--O 1.198 -1.649 0 O-C-N 121.336 -0.852 . . . . 0.0 111.19 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 52.6 mp0 -69.51 -42.28 74.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.218 -1.551 . . . . 0.0 110.468 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -61.6 -39.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.564 -0.71 . . . . 0.0 110.241 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.35 -33.59 37.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.896 -1.128 . . . . 0.0 110.386 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.03 -40.07 88.06 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -152.05 61.41 0.85 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -51.46 -31.31 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.156 -1.577 . . . . 0.0 109.156 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.87 0.04 56.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -1.085 . . . . 0.0 108.948 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.45 -149.16 0.05 OUTLIER Glycine 0 N--CA 1.481 1.674 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.24 155.85 39.65 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -1.046 . . . . 0.0 109.997 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.928 HG21 HD22 ' A' ' 33' ' ' LEU . 15.3 m -137.36 156.84 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.564 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 36.9 p-10 -127.12 -159.11 0.91 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.459 -0.776 . . . . 0.0 109.69 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 28.5 p90 -59.93 -47.6 85.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.638 -0.664 . . . . 0.0 112.053 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.698 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.05 -28.3 65.34 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.418 -1.426 . . . . 0.0 109.583 -178.355 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.564 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 60.9 mm-40 -77.96 -40.93 37.83 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.558 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.69 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.6 t80 -68.33 -38.45 81.53 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.355 -0.84 . . . . 0.0 108.759 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.27 -41.76 74.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.01 -39.99 78.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.166 -0.959 . . . . 0.0 110.767 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.32 -32.76 66.83 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.112 -0.992 . . . . 0.0 109.801 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 74' ' ' PHE . 53.7 t -69.68 -40.83 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -0.887 . . . . 0.0 109.546 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.82 92.56 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -59.96 -40.01 87.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.3 -39.98 94.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.777 -1.202 . . . . 0.0 109.125 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 86' ' ' ASN . 45.1 m -59.97 -38.81 83.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.597 -0.689 . . . . 0.0 109.912 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.56 -38.11 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 109.211 -178.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.63 -22.18 60.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 110.44 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.54 ' C ' ' H ' ' A' ' 87' ' ' ASN . 91.9 m -125.11 21.21 8.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.922 . . . . 0.0 108.606 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 82' ' ' THR . 21.2 p-10 -58.01 2.23 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.392 -0.817 . . . . 0.0 109.975 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 85' ' ' CYS . 8.2 t-20 -49.9 106.24 0.11 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.084 -1.01 . . . . 0.0 108.761 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.96 -41.78 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.896 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 91' ' ' GLU . 86.6 m-85 -63.78 -40.02 95.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.947 -1.096 . . . . 0.0 109.592 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.484 ' CE3' ' O ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER 23.95 43.12 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 121.23 0.538 . . . . 0.0 112.104 -179.31 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' PHE . 15.4 pt-20 -76.97 133.74 39.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 0.0 109.692 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -104.97 119.96 40.29 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 109.243 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.421 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.782 2.673 . . . . 0.0 119.782 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.901 ' HB2' ' OE2' ' A' ' 40' ' ' GLU . 4.8 t -90.48 163.43 14.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.196 -1.179 . . . . 0.0 110.223 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.97 -39.91 91.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.368 -0.833 . . . . 0.0 109.734 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 3.9 tp -72.68 -53.98 10.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.46 -0.775 . . . . 0.0 110.204 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 1.06 ' OE1' HD23 ' A' ' 41' ' ' LEU . 24.4 tp10 -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 109.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -40.01 87.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.118 -0.989 . . . . 0.0 110.044 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.1 92.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.03 -1.044 . . . . 0.0 110.715 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.6 tpt -60.51 -41.88 95.29 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.183 -0.948 . . . . 0.0 108.558 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.05 -39.29 85.47 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.739 -0.601 . . . . 0.0 110.322 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 109.855 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.91 -44.52 98.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.006 -1.059 . . . . 0.0 109.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.35 -41.12 92.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.791 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.75 -37.87 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.586 -1.321 . . . . 0.0 111.234 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.15 -39.51 63.59 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 20' ' ' GLY . 55.6 m-70 -59.94 -36.59 77.39 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.58 9.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.703 -1.248 . . . . 0.0 109.183 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -79.93 -50.03 11.04 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.823 -1.173 . . . . 0.0 110.16 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.3 m -66.43 -39.98 89.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.227 -0.921 . . . . 0.0 111.16 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -48.1 -26.78 4.78 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -8.41 55.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.245 . . . . 0.0 108.447 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' B' ' 27' ' ' LYS . 86.4 tt0 -98.8 139.82 33.91 Favored 'General case' 0 C--N 1.289 -2.051 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.848 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.7 -40.0 95.96 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.401 ' H ' ' HG2' ' B' ' 22' ' ' GLU . 88.3 m-20 -81.89 140.28 34.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -1.116 . . . . 0.0 108.851 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -77.14 -14.02 59.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.672 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' B' ' 27' ' ' LYS . 93.1 m-85 -63.57 158.23 21.71 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.604 ' HB3' HG23 ' B' ' 69' ' ' VAL . 27.0 tptt -49.37 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.632 -1.292 . . . . 0.0 109.472 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.537 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER 176.63 -176.88 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.598 -1.313 . . . . 0.0 110.416 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -49.34 147.89 2.95 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.759 -1.213 . . . . 0.0 109.678 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 4.0 mtmt -60.03 -50.38 73.96 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.071 -1.018 . . . . 0.0 111.525 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -51.84 -47.52 64.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.048 -1.658 . . . . 0.0 111.114 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -68.19 -40.01 82.31 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 109.327 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.956 HD22 HG21 ' B' ' 69' ' ' VAL . 2.9 tp -48.0 -46.76 33.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.849 -1.157 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -67.16 -39.76 86.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 110.832 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -38.42 82.43 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.809 -1.182 . . . . 0.0 110.256 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.79 -55.74 10.27 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 111.947 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -40.79 71.93 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.337 -1.477 . . . . 0.0 112.008 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.93 -28.86 67.98 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 m -76.28 -40.08 52.59 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.524 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.903 ' OE2' ' HB2' ' A' ' 2' ' ' SER . 4.0 tp10 -80.59 -16.32 54.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.093 -1.004 . . . . 0.0 109.559 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 1.038 HD23 ' OE1' ' A' ' 5' ' ' GLU . 15.5 mt -108.2 32.11 5.04 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.1 m -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.8 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 75.3 m -59.94 -36.91 78.08 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.576 ' HE2' ' OE2' ' A' ' 5' ' ' GLU . 31.7 m-85 -59.96 -40.01 87.58 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.43 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.7 mm? -67.85 -3.38 9.46 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' B' ' 43' ' ' SER . 52.9 t0 -55.82 -39.65 71.68 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.221 -0.924 . . . . 0.0 108.788 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.09 87.55 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.234 -0.916 . . . . 0.0 109.176 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -66.84 115.36 6.53 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.001 0.905 . . . . 0.0 109.368 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.1 mmmt -80.01 -70.04 0.55 Allowed 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -99.96 102.98 14.51 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 122.088 0.947 . . . . 0.0 109.436 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.1 -13.28 60.46 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.45 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -70.94 -53.5 14.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.882 -1.136 . . . . 0.0 108.452 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.634 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.4 t -52.89 -35.5 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.83 -40.0 93.76 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.695 -0.628 . . . . 0.0 109.478 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -41.26 99.19 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.163 -0.96 . . . . 0.0 109.359 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.414 HD11 ' HB3' ' B' ' 80' ' ' ALA . 80.1 mt -59.94 -43.03 91.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.0 mmt -60.51 -23.8 64.82 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.126 -0.984 . . . . 0.0 109.284 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -66.61 -41.56 88.23 Favored 'General case' 0 C--O 1.2 -1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 111.129 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 60' ' ' GLU . 52.2 mp0 -69.51 -42.38 74.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.173 -1.579 . . . . 0.0 110.476 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -61.44 -39.79 92.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.536 -0.728 . . . . 0.0 110.291 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.38 -33.56 37.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.8 -1.187 . . . . 0.0 110.408 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.06 -39.96 87.82 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -152.09 61.33 0.84 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -51.45 -31.17 28.06 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -87.89 -0.02 56.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -1.079 . . . . 0.0 108.996 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.51 -149.03 0.05 OUTLIER Glycine 0 N--CA 1.48 1.631 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -151.49 155.91 39.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -1.054 . . . . 0.0 109.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.956 HG21 HD22 ' B' ' 33' ' ' LEU . 14.0 m -137.3 156.93 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.565 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 37.0 p-10 -127.02 -159.05 0.91 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.462 -0.774 . . . . 0.0 109.685 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.693 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 28.5 p90 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.685 -0.634 . . . . 0.0 111.928 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.693 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -69.91 -28.25 65.45 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.44 -1.412 . . . . 0.0 109.654 -178.315 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.565 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 60.7 mm-40 -77.96 -40.78 38.28 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.608 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.681 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.8 t80 -68.42 -38.33 81.11 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.24 -42.02 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.389 -0.82 . . . . 0.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.0 77.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 O-C-N 121.203 -0.936 . . . . 0.0 110.68 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.26 -32.79 66.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.088 -1.008 . . . . 0.0 109.781 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.3 t -69.84 -40.3 78.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.565 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.59 91.59 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.497 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.95 -40.02 87.57 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.19 -40.1 94.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 86' ' ' ASN . 48.0 m -60.0 -38.96 84.17 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.678 -0.639 . . . . 0.0 109.839 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.497 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -58.38 -38.05 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.147 -0.97 . . . . 0.0 109.284 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.634 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -72.79 -22.24 60.86 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 110.467 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.55 ' C ' ' H ' ' B' ' 87' ' ' ASN . 89.8 m -124.98 21.28 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 108.528 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' B' ' 82' ' ' THR . 21.6 p-10 -58.1 2.17 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.442 -0.786 . . . . 0.0 110.017 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' B' ' 85' ' ' CYS . 8.2 t-20 -49.94 106.26 0.11 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.102 -0.999 . . . . 0.0 108.838 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.99 -41.74 92.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 110.867 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' B' ' 91' ' ' GLU . 86.2 m-85 -63.87 -39.98 95.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 109.663 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.479 ' CE3' ' O ' ' B' ' 87' ' ' ASN . 0.7 OUTLIER 24.14 42.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 CA-C-O 121.049 0.452 . . . . 0.0 112.061 -179.41 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' B' ' 89' ' ' PHE . 13.7 pt-20 -76.06 134.72 39.99 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.165 -0.96 . . . . 0.0 109.641 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -105.6 119.97 40.48 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.402 -0.811 . . . . 0.0 109.265 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.451 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.945 0 N-CA-C 119.883 2.713 . . . . 0.0 119.883 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -100.76 156.3 17.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -1.12 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' HB2' HG13 ' B' ' 14' ' ' VAL . 48.3 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.746 ' HG ' HG11 ' B' ' 14' ' ' VAL . 59.3 mt -66.9 -39.91 87.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.382 -0.824 . . . . 0.0 109.795 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 0.0 109.908 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.16 -39.99 88.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.16 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.691 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.24 -40.82 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.039 -1.038 . . . . 0.0 110.431 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.114 -0.991 . . . . 0.0 109.427 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -67.2 -40.0 86.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.436 -0.79 . . . . 0.0 110.558 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 99.7 mt -60.18 -40.09 88.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.93 -42.68 97.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.856 -1.152 . . . . 0.0 109.982 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.51 -42.35 98.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.19 -0.943 . . . . 0.0 111.822 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.703 HG11 ' HG ' ' B' ' 4' ' ' LEU . 25.1 t -70.79 -35.76 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.756 -1.215 . . . . 0.0 111.265 -178.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 6.7 m-30 -59.25 -37.41 77.52 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.8 t60 -60.01 -39.92 87.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.832 -0.542 . . . . 0.0 109.799 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.48 10.2 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.899 -1.125 . . . . 0.0 109.865 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -74.74 -40.03 61.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.703 -1.248 . . . . 0.0 110.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 22' ' ' GLU . 13.0 m -69.33 -39.66 78.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.16 -0.962 . . . . 0.0 110.196 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -50.66 -37.35 33.87 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -74.76 -9.68 58.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -1.13 . . . . 0.0 109.133 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' SER . 51.2 tp10 -88.41 141.4 28.57 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.96 91.09 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.11 144.7 25.17 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.219 -1.165 . . . . 0.0 109.228 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.71 -30.24 69.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.943 . . . . 0.0 109.697 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.94 169.55 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.92 -1.112 . . . . 0.0 108.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HZ1' HD23 ' A' ' 36' ' ' LEU . 13.1 tptt -52.99 -85.36 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.731 -1.23 . . . . 0.0 108.453 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 177.26 -175.14 0.14 Allowed 'General case' 0 N--CA 1.512 2.635 0 O-C-N 121.095 -1.003 . . . . 0.0 110.751 178.274 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -56.71 148.54 19.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.982 -1.073 . . . . 0.0 110.903 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.0 -41.66 92.56 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.869 -0.519 . . . . 0.0 111.687 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -60.93 -54.45 44.92 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 119.611 -1.931 . . . . 0.0 110.268 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' LEU . 51.2 tp10 -64.34 -40.0 95.0 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.281 -0.967 . . . . 0.0 108.718 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.013 HD22 HG21 ' A' ' 69' ' ' VAL . 53.9 tp -44.98 -44.62 10.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.967 -1.083 . . . . 0.0 108.253 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.71 ' HB2' HD13 ' A' ' 61' ' ' LEU . 15.6 tptt -60.01 -39.7 86.73 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 120.057 -0.657 . . . . 0.0 109.852 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.03 -34.68 73.71 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.744 -1.223 . . . . 0.0 108.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD23 ' HZ1' ' A' ' 27' ' ' LYS . 9.9 mp -69.99 -56.39 7.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 110.845 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.94 -49.21 78.57 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.872 -1.142 . . . . 0.0 110.682 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.0 -21.33 44.31 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-O 121.443 0.64 . . . . 0.0 109.374 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.99 -32.68 15.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -81.97 -6.17 58.91 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.839 -1.163 . . . . 0.0 109.907 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 27.4 mt -115.15 48.63 1.14 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.988 -1.07 . . . . 0.0 108.3 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 22.6 t -53.36 -40.09 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.056 -1.027 . . . . 0.0 109.927 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.523 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 78.7 p -60.04 -13.06 9.72 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.687 -1.258 . . . . 0.0 108.066 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 80.3 t80 -47.13 -54.01 11.54 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 120.863 -1.148 . . . . 0.0 110.189 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -65.27 -6.05 8.71 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.888 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.693 ' OD1' HG22 ' A' ' 47' ' ' VAL . 4.5 p-10 -60.76 -41.12 94.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.693 HG22 ' OD1' ' A' ' 46' ' ' ASP . 17.2 m -161.63 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.79 118.26 9.39 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.204 -1.56 . . . . 0.0 108.209 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 84' ' ' ALA . 3.7 mtmp? -89.14 -72.62 0.54 Allowed 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.744 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.04 91.14 7.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.074 -1.016 . . . . 0.0 109.644 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -16.93 63.35 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.94 -40.06 75.71 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.48 54.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.685 HG23 ' CB ' ' A' ' 84' ' ' ALA . 2.9 t -57.13 -36.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.1 -39.97 88.03 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.536 -0.727 . . . . 0.0 109.875 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.22 -39.99 89.97 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.918 0.866 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.557 HG23 HD11 ' A' ' 77' ' ' LEU . 80.5 mt -61.03 -43.24 95.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.84 -0.537 . . . . 0.0 111.279 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.514 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.7 ttm -66.84 -26.1 66.75 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.093 -1.005 . . . . 0.0 109.056 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -63.28 -40.0 96.17 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.409 -0.807 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.42 -39.92 74.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.711 -1.243 . . . . 0.0 110.539 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 34' ' ' LYS . 11.8 mt -69.13 -23.97 64.04 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.54 -0.725 . . . . 0.0 109.413 -178.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.74 -36.21 16.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.896 -1.128 . . . . 0.0 109.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.515 0.674 . . . . 0.0 109.475 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.42 HD21 ' HA ' ' A' ' 64' ' ' ASN . 1.4 t-20 -127.83 29.1 5.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.7 -28.71 16.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -86.98 0.14 55.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -1.057 . . . . 0.0 109.795 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.8 -158.27 8.64 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.36 165.23 28.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.63 -0.923 . . . . 0.0 109.819 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.013 HG21 HD22 ' A' ' 33' ' ' LEU . 2.6 m -141.15 155.86 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.549 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 10.9 p-10 -129.1 -158.05 0.86 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.8 p90 -59.99 -44.03 94.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.439 -0.788 . . . . 0.0 111.865 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.679 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 29.2 tt0 -70.61 -29.01 65.28 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.178 -1.576 . . . . 0.0 109.245 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 75.8 mm-40 -81.7 -40.06 23.34 Favored 'General case' 0 C--N 1.284 -2.239 0 C-N-CA 119.664 -0.815 . . . . 0.0 109.665 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 78' ' ' VAL . 8.1 t80 -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.819 0.819 . . . . 0.0 108.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG11 ' HB2' ' B' ' 79' ' ' ALA . 54.8 t -74.38 -42.53 50.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.239 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' GLN . 85.9 t -70.86 -40.03 76.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.261 -0.9 . . . . 0.0 110.611 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 57' ' ' ILE . 11.5 tp -73.38 -34.91 65.81 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.428 -0.795 . . . . 0.0 110.113 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 74' ' ' PHE . 77.9 t -70.06 -39.98 77.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 109.074 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.69 -38.36 90.83 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.56 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.09 -39.99 88.05 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD21 ' HZ1' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -60.41 -43.09 97.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.048 -1.032 . . . . 0.0 108.812 179.523 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -60.02 -34.25 73.11 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.84 -1.163 . . . . 0.0 110.047 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.562 ' HB ' ' OE1' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -53.52 -38.18 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.862 -1.149 . . . . 0.0 108.208 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.685 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.99 -22.67 63.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.572 ' C ' ' H ' ' A' ' 87' ' ' ASN . 52.5 t -137.92 58.37 1.69 Allowed 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.557 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 63.2 t30 -67.62 44.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.572 ' H ' ' C ' ' A' ' 85' ' ' CYS . 48.2 p-10 -53.37 140.03 28.52 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.26 0.552 . . . . 0.0 109.926 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -128.1 -61.1 1.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.663 -0.648 . . . . 0.0 109.279 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 64.4 t80 -90.04 -10.93 43.02 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.275 -0.891 . . . . 0.0 109.703 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -90.29 45.07 1.24 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.149 -0.969 . . . . 0.0 110.085 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.1 141.31 54.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -69.48 152.59 44.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 0.0 109.71 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.346 -179.907 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.854 0 N-CA-C 119.735 2.654 . . . . 0.0 119.735 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -100.82 156.06 17.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.172 -1.193 . . . . 0.0 109.565 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.56 ' HB2' HG13 ' A' ' 14' ' ' VAL . 48.5 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.286 -0.884 . . . . 0.0 109.513 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.703 ' HG ' HG11 ' A' ' 14' ' ' VAL . 63.2 mt -66.95 -39.92 87.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.408 -0.807 . . . . 0.0 109.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.0 -40.08 88.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.199 -0.938 . . . . 0.0 110.051 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 110.24 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.17 92.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.272 -0.892 . . . . 0.0 110.707 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.31 -40.72 95.26 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.114 -0.991 . . . . 0.0 110.292 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -39.99 87.87 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.099 -1.0 . . . . 0.0 109.454 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -67.48 -39.95 85.24 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.368 -0.832 . . . . 0.0 110.405 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 98.6 mt -60.08 -40.07 88.28 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.848 -1.157 . . . . 0.0 110.835 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -62.86 -42.59 97.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.87 -1.144 . . . . 0.0 109.982 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.61 -42.31 98.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.235 -0.915 . . . . 0.0 111.861 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.746 HG11 ' HG ' ' A' ' 4' ' ' LEU . 29.0 t -70.84 -35.78 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.693 -1.254 . . . . 0.0 111.2 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.447 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 6.7 m-30 -59.29 -37.4 77.6 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 20' ' ' GLY . 85.8 t60 -60.02 -40.02 87.87 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.195 0.521 . . . . 0.0 109.718 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.28 10.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.9 -1.125 . . . . 0.0 109.861 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.86 -40.02 61.23 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.709 -1.244 . . . . 0.0 110.154 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' B' ' 22' ' ' GLU . 12.0 m -69.68 -39.13 77.17 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.03 . . . . 0.0 110.238 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -50.98 -37.32 36.04 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -74.65 -9.79 58.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.17 -1.194 . . . . 0.0 109.118 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' B' ' 19' ' ' SER . 51.6 tp10 -88.6 141.46 28.5 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.19 90.98 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -92.15 144.74 25.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.262 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.73 -30.12 69.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.698 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -49.91 169.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.928 -1.108 . . . . 0.0 108.459 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.474 ' HZ2' ' CD2' ' B' ' 36' ' ' LEU . 13.5 tptt -53.02 -85.45 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.786 -1.196 . . . . 0.0 108.41 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.586 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.35 -175.03 0.14 Allowed 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.94 -1.1 . . . . 0.0 110.769 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.5 p -56.58 148.48 19.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.015 -1.053 . . . . 0.0 110.974 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.09 -41.4 92.41 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.796 -0.565 . . . . 0.0 111.781 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -61.09 -54.13 48.5 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.579 -1.95 . . . . 0.0 110.29 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.9 tp10 -64.58 -40.01 94.77 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.669 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 1.023 HD22 HG21 ' B' ' 69' ' ' VAL . 54.3 tp -45.12 -44.42 10.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.718 ' HB2' HD13 ' B' ' 61' ' ' LEU . 15.3 tptt -60.06 -39.82 87.33 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.876 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.01 -34.53 73.46 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.724 -1.235 . . . . 0.0 108.771 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HZ2' ' B' ' 27' ' ' LYS . 10.0 mp -70.04 -56.44 6.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.836 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.664 HD23 ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.02 -49.25 78.42 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.936 -1.103 . . . . 0.0 110.654 -178.152 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -57.95 -21.56 44.7 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 121.439 0.638 . . . . 0.0 109.321 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.8 -32.47 15.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.347 -0.845 . . . . 0.0 110.635 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.15 -6.16 58.98 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.854 -1.154 . . . . 0.0 109.907 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 33.5 mt -115.09 48.32 1.18 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.897 -1.127 . . . . 0.0 108.245 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 26.4 t -53.16 -40.15 64.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.06 -1.025 . . . . 0.0 109.921 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.516 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 79.4 p -60.02 -13.02 9.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.624 -1.298 . . . . 0.0 108.035 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 80.2 t80 -47.1 -54.28 10.84 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.992 -1.068 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' B' ' 42' ' ' SER . 1.1 pt? -65.01 -5.89 7.32 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.994 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.686 ' OD1' HG22 ' B' ' 47' ' ' VAL . 4.6 p-10 -61.12 -40.73 94.87 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.215 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.686 HG22 ' OD1' ' B' ' 46' ' ' ASP . 16.9 m -161.86 68.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.538 -0.726 . . . . 0.0 110.765 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.536 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -65.8 118.05 9.1 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.15 -1.594 . . . . 0.0 108.205 179.183 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ALA . 3.2 mtmp? -89.24 -71.97 0.58 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.803 -0.561 . . . . 0.0 109.823 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.04 90.95 7.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.005 -1.06 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.96 -40.04 75.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -53.43 54.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.698 HG23 ' CB ' ' B' ' 84' ' ' ALA . 3.0 t -56.95 -37.0 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.93 -40.04 87.53 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.912 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.27 -40.05 89.85 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.848 0.833 . . . . 0.0 109.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.541 HG23 HD11 ' B' ' 77' ' ' LEU . 81.5 mt -60.94 -43.47 95.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.914 -0.491 . . . . 0.0 111.323 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.515 ' HA ' HD12 ' B' ' 61' ' ' LEU . 5.9 ttm -66.4 -26.63 67.33 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.215 -0.928 . . . . 0.0 109.025 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -63.05 -40.06 96.59 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.428 -0.795 . . . . 0.0 110.715 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.22 -40.01 74.77 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.759 -1.213 . . . . 0.0 110.509 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' B' ' 34' ' ' LYS . 12.9 mt -69.11 -24.02 64.07 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.638 0.733 . . . . 0.0 109.457 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.17 -36.02 15.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.763 -1.211 . . . . 0.0 109.416 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 63' ' ' GLU . 0.3 OUTLIER -82.74 -27.36 31.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.426 0.631 . . . . 0.0 109.411 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.418 ' HA ' HD21 ' B' ' 64' ' ' ASN . 1.4 t-20 -127.6 29.24 5.53 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.95 -28.56 17.52 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -86.96 0.33 55.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -1.074 . . . . 0.0 109.857 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -158.26 8.59 Favored Glycine 0 N--CA 1.479 1.556 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.63 164.9 29.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.671 -0.899 . . . . 0.0 109.792 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 1.023 HG21 HD22 ' B' ' 33' ' ' LEU . 2.7 m -140.91 156.0 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.401 -0.812 . . . . 0.0 109.431 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.549 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 10.8 p-10 -129.02 -158.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.02 -43.96 94.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.348 -0.845 . . . . 0.0 111.851 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.686 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 29.2 tt0 -70.82 -28.71 64.82 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.087 -1.633 . . . . 0.0 109.22 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 76.2 mm-40 -81.92 -40.01 22.93 Favored 'General case' 0 C--N 1.284 -2.262 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.6 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.739 ' O ' HG23 ' B' ' 78' ' ' VAL . 8.2 t80 -69.99 -39.62 75.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 79' ' ' ALA . 55.5 t -74.12 -42.83 51.84 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 O-C-N 121.062 -1.024 . . . . 0.0 111.208 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 72' ' ' GLN . 86.1 t -70.68 -40.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 O-C-N 121.241 -0.912 . . . . 0.0 110.672 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.541 HD11 HG23 ' B' ' 57' ' ' ILE . 11.2 tp -73.26 -35.09 66.14 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.355 -0.841 . . . . 0.0 110.184 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 74' ' ' PHE . 79.6 t -69.97 -40.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.033 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -63.41 -38.63 91.88 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.565 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.99 -40.03 87.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.519 HD22 HG22 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -60.41 -42.99 97.14 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.011 -1.056 . . . . 0.0 108.892 179.504 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -60.03 -34.49 73.44 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.822 -1.174 . . . . 0.0 110.036 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.565 ' HB ' ' OE1' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -53.33 -38.0 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.794 -1.191 . . . . 0.0 108.14 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.698 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -70.06 -22.76 63.04 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.357 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.604 ' O ' ' N ' ' B' ' 87' ' ' ASN . 52.3 t -137.84 58.07 1.7 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.562 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 63.6 t30 -67.42 44.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' B' ' 85' ' ' CYS . 48.1 p-10 -53.36 139.96 28.71 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.321 0.581 . . . . 0.0 109.977 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -127.97 -61.1 1.12 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.476 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 64.2 t80 -89.95 -11.06 42.81 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -90.15 44.84 1.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.218 -0.926 . . . . 0.0 110.132 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.63 142.03 55.22 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -69.98 152.69 44.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.446 -0.784 . . . . 0.0 109.558 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.387 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.399 2.519 . . . . 0.0 119.399 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -77.55 153.56 33.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.227 -1.161 . . . . 0.0 109.468 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 43.4 mp0 -70.09 -41.77 73.63 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 110.778 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.55 -40.21 70.15 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.935 -1.103 . . . . 0.0 111.866 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.81 -39.93 93.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.491 -1.381 . . . . 0.0 109.943 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -61.55 -40.2 93.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.436 -0.79 . . . . 0.0 111.28 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.15 75.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.076 -1.015 . . . . 0.0 111.042 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.91 -43.55 98.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.849 -1.157 . . . . 0.0 109.853 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.15 -39.72 87.36 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.221 -0.924 . . . . 0.0 109.022 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.576 -0.702 . . . . 0.0 110.066 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -39.94 87.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.968 -1.082 . . . . 0.0 110.497 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.8 -44.54 98.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.823 -1.173 . . . . 0.0 110.142 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 50.8 t-20 -60.13 -41.5 92.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.002 -1.061 . . . . 0.0 111.183 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.63 -37.61 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.771 -1.205 . . . . 0.0 111.032 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.7 m-30 -55.85 -35.97 67.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 65.5 t60 -60.04 -38.2 82.05 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -57.52 9.26 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.614 -1.304 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -80.12 -48.44 13.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.924 -1.11 . . . . 0.0 110.313 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PHE . 51.9 p -69.9 -35.85 74.94 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.271 -0.893 . . . . 0.0 111.17 -178.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -49.96 -26.52 8.67 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -73.05 -14.34 61.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.307 -1.113 . . . . 0.0 109.032 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' SER . 88.8 tt0 -87.75 141.85 28.28 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.21 -44.34 89.05 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -90.34 159.02 16.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.145 -1.209 . . . . 0.0 108.94 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -77.97 -9.34 59.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.163 -0.961 . . . . 0.0 109.958 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -53.4 155.12 3.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 47.7 tptt -52.06 -82.77 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.672 -1.267 . . . . 0.0 109.029 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.563 ' O ' HG22 ' A' ' 69' ' ' VAL . 14.8 tp -174.01 -179.33 1.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.262 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 t -65.89 150.59 48.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.482 -1.386 . . . . 0.0 110.946 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 13.4 mmtp -54.27 -47.6 72.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.672 -0.643 . . . . 0.0 110.449 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' GLY . 44.7 tptt -60.02 -43.4 95.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.307 -1.495 . . . . 0.0 111.079 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -84.19 -24.66 30.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.598 -1.314 . . . . 0.0 108.561 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.97 HD22 HG21 ' A' ' 69' ' ' VAL . 55.6 tp -51.37 -51.22 56.52 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -72.58 -33.71 66.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.913 -1.117 . . . . 0.0 111.519 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.88 -40.16 87.73 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.225 -1.547 . . . . 0.0 110.879 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.44 -55.5 6.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 112.981 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.03 -36.39 75.02 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.402 -1.436 . . . . 0.0 111.199 -176.703 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -59.13 -31.56 69.05 Favored 'General case' 0 C--N 1.285 -2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 108.434 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -74.96 -42.36 57.78 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.979 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -31.92 71.99 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.4 mt -98.34 33.75 2.14 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 109.526 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.6 m -59.97 -40.05 87.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 75.7 m -63.7 -30.89 71.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.234 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.8 m-85 -60.04 -38.03 81.56 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -63.02 -3.04 1.44 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.41 -0.806 . . . . 0.0 108.861 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 43' ' ' SER . 88.5 m-20 -57.56 -40.16 78.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.053 -1.03 . . . . 0.0 108.67 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.0 p -138.21 95.97 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.488 -0.757 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -68.76 106.13 2.55 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 108.292 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.0 mmmp? -80.07 -70.26 0.53 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.617 -0.677 . . . . 0.0 109.418 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -102.32 100.55 10.72 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.92 -18.38 60.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.203 -0.935 . . . . 0.0 109.469 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -70.09 -39.94 75.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.62 -0.675 . . . . 0.0 109.447 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.19 -54.79 20.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.894 -1.129 . . . . 0.0 108.377 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.568 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.2 t -55.54 -34.83 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.97 -40.0 87.55 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.435 -0.791 . . . . 0.0 109.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.72 -40.09 94.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.04 -1.037 . . . . 0.0 109.902 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.4 mp -59.98 -41.32 85.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 108.783 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -62.7 -26.21 68.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.398 -0.813 . . . . 0.0 109.085 179.042 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.02 -40.14 95.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.124 -0.985 . . . . 0.0 110.949 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.54 -40.07 61.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.355 -1.466 . . . . 0.0 110.405 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 9.4 mt -67.91 -26.28 65.91 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.704 -0.622 . . . . 0.0 110.902 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -93.2 -37.83 11.88 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.035 -1.041 . . . . 0.0 110.042 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -30.78 68.11 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.448 -0.782 . . . . 0.0 108.899 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -154.72 67.19 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -62.92 -22.54 64.71 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 66' ' ' ASP . 51.5 t0 -88.7 5.77 41.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.08 -1.247 . . . . 0.0 109.638 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.14 -151.02 0.13 Allowed Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.47 154.28 36.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.477 -1.013 . . . . 0.0 109.944 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.97 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -140.05 156.44 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.578 -0.701 . . . . 0.0 109.742 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 44.4 p-10 -125.27 -158.71 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.2 p90 -60.0 -45.38 92.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 112.181 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.674 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.0 tt0 -69.78 -27.79 65.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.313 -1.492 . . . . 0.0 108.943 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 61.3 mm-40 -79.28 -41.89 27.06 Favored 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.194 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.7 t80 -69.59 -38.04 77.16 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.347 -0.845 . . . . 0.0 108.81 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.65 HG11 ' HB2' ' B' ' 79' ' ' ALA . 51.3 t -73.85 -42.37 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.57 -0.706 . . . . 0.0 110.9 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.19 -40.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.156 -0.965 . . . . 0.0 110.794 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.94 -33.91 66.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 68.0 t -71.93 -40.25 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.031 -1.043 . . . . 0.0 109.813 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.656 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.02 92.77 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.708 0.765 . . . . 0.0 109.141 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.75 -40.11 93.96 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.638 -1.289 . . . . 0.0 108.468 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -50.95 -34.98 31.07 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.443 HG21 ' CD ' ' B' ' 72' ' ' GLN . 54.5 t -60.17 -41.81 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.618 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -70.03 -20.65 63.25 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.839 -0.538 . . . . 0.0 110.138 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.513 ' C ' ' N ' ' A' ' 87' ' ' ASN . 35.1 m -141.27 59.33 1.52 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.535 ' ND2' ' CZ ' ' B' ' 71' ' ' PHE . 29.0 m120 -52.93 -11.98 0.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.513 ' N ' ' C ' ' A' ' 85' ' ' CYS . 2.2 p-10 43.47 36.5 1.16 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -109.44 -58.15 2.08 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.337 -0.852 . . . . 0.0 110.995 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 35.2 t80 -70.01 -30.21 67.47 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.941 -1.099 . . . . 0.0 111.105 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.506 ' CZ2' ' O ' ' A' ' 87' ' ' ASN . 47.1 m95 64.79 50.69 1.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.407 -0.808 . . . . 0.0 109.9 -178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 89' ' ' PHE . 76.0 mm-40 -59.12 -24.57 63.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -69.49 -13.11 62.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.349 -0.845 . . . . 0.0 109.286 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.445 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.864 0 N-CA-C 119.558 2.583 . . . . 0.0 119.558 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.3 m -77.45 153.15 33.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -1.18 . . . . 0.0 109.495 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 43.1 mp0 -69.95 -41.56 74.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.109 -0.994 . . . . 0.0 110.74 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.58 -40.59 69.81 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.888 -1.133 . . . . 0.0 111.773 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.38 -40.08 93.04 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.513 -1.367 . . . . 0.0 109.993 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.7 m -61.86 -40.05 93.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 111.225 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.39 76.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.134 -0.979 . . . . 0.0 111.068 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.5 tpt -61.9 -43.72 98.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.972 -1.08 . . . . 0.0 109.956 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -39.7 86.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -0.882 . . . . 0.0 108.956 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -60.02 -39.93 87.55 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.684 -0.635 . . . . 0.0 110.032 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.91 -40.0 87.35 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.007 -1.058 . . . . 0.0 110.471 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.92 -44.12 98.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 120.656 -1.277 . . . . 0.0 110.177 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 51.3 t-20 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.956 -1.09 . . . . 0.0 111.04 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.05 -38.24 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.756 -1.215 . . . . 0.0 111.083 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.6 -36.04 66.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' B' ' 20' ' ' GLY . 64.2 t60 -59.87 -38.4 82.07 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.81 -57.8 8.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.726 -1.234 . . . . 0.0 109.236 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -79.93 -48.49 13.33 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.835 -1.165 . . . . 0.0 110.224 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.435 ' O ' ' N ' ' B' ' 22' ' ' GLU . 50.8 p -69.95 -36.04 74.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.332 -0.855 . . . . 0.0 111.217 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -50.04 -26.53 8.92 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.57 -14.52 61.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -1.102 . . . . 0.0 109.013 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' B' ' 19' ' ' SER . 87.9 tt0 -87.58 141.9 28.26 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.15 -44.59 88.72 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -89.96 159.1 17.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.174 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -78.04 -9.29 59.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -53.43 155.15 3.03 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.757 -1.215 . . . . 0.0 107.933 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.485 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 48.3 tptt -52.25 -82.76 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.067 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.568 ' O ' HG22 ' B' ' 69' ' ' VAL . 14.8 tp -173.92 -179.46 1.73 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.161 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.431 ' H ' ' HG ' ' B' ' 28' ' ' LEU . 10.4 t -65.58 150.6 48.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.453 -1.404 . . . . 0.0 110.991 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' B' ' 61' ' ' LEU . 13.3 mmtp -54.26 -47.59 72.11 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.725 -0.609 . . . . 0.0 110.408 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' B' ' 65' ' ' GLY . 45.1 tptt -59.97 -43.45 95.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.294 -1.504 . . . . 0.0 111.179 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -84.3 -24.45 29.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.584 -1.323 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.995 HD22 HG21 ' B' ' 69' ' ' VAL . 55.8 tp -51.61 -51.06 58.62 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -72.8 -33.6 66.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 111.567 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.199 -1.563 . . . . 0.0 110.835 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.56 -55.37 6.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.082 -1.012 . . . . 0.0 112.978 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.642 HD23 ' N ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -69.91 -36.7 75.6 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.369 -1.457 . . . . 0.0 111.34 -176.744 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -58.87 -31.69 68.79 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.945 -1.097 . . . . 0.0 108.328 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.1 m -74.86 -42.17 58.41 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.057 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -32.23 72.3 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -97.87 33.81 2.03 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.521 -0.737 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.041 -1.037 . . . . 0.0 110.95 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.9 m -63.94 -30.83 71.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 109.322 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 m-85 -59.96 -38.21 81.83 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -62.96 -2.75 1.31 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.481 -0.762 . . . . 0.0 108.971 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' B' ' 44' ' ' PHE . 88.0 m-20 -58.05 -40.01 79.85 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.98 -1.075 . . . . 0.0 108.569 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.555 HG13 ' O ' ' B' ' 47' ' ' VAL . 4.6 p -138.39 96.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.422 -0.799 . . . . 0.0 110.272 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -68.99 106.29 2.71 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.933 -1.105 . . . . 0.0 108.156 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.1 mmmp? -79.98 -70.74 0.49 Allowed 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.86 100.63 10.97 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -0.912 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.15 60.84 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.481 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -69.99 -39.93 75.62 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.483 0.659 . . . . 0.0 109.53 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -54.56 22.67 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.883 -1.135 . . . . 0.0 108.387 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.566 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.2 t -55.72 -34.89 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -59.86 -40.04 87.25 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 121.51 -0.744 . . . . 0.0 109.371 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.63 -40.12 94.92 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.047 . . . . 0.0 109.888 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' B' ' 57' ' ' ILE . 1.4 mp -59.91 -41.29 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.89 . . . . 0.0 108.803 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -62.77 -26.12 68.55 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.035 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.0 -40.09 95.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.131 -0.98 . . . . 0.0 110.9 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.82 -40.0 61.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.357 -1.464 . . . . 0.0 110.438 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' B' ' 30' ' ' LYS . 9.4 mt -67.76 -26.64 66.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.655 -0.653 . . . . 0.0 110.886 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -92.92 -37.68 12.11 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.041 -1.037 . . . . 0.0 110.163 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -30.94 68.39 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 108.936 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -154.81 67.18 0.68 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.471 -0.768 . . . . 0.0 109.13 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -62.83 -22.55 64.53 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 66' ' ' ASP . 49.7 t0 -88.56 5.24 43.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.636 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.55 -151.14 0.1 Allowed Glycine 0 N--CA 1.482 1.719 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.46 154.56 36.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.033 . . . . 0.0 109.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.995 HG21 HD22 ' B' ' 33' ' ' LEU . 2.9 m -140.4 156.69 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 109.714 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.522 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 44.8 p-10 -125.41 -158.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.366 -0.834 . . . . 0.0 112.053 -178.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.678 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 8.5 tt0 -69.55 -28.24 65.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.281 -1.512 . . . . 0.0 108.927 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.522 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 61.0 mm-40 -79.06 -41.52 28.59 Favored 'General case' 0 C--N 1.281 -2.384 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.239 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.546 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.7 t80 -69.88 -37.76 76.16 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.388 -0.82 . . . . 0.0 108.804 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 79' ' ' ALA . 46.1 t -74.43 -41.85 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.462 -0.774 . . . . 0.0 110.975 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.7 t -70.75 -40.05 76.35 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 O-C-N 121.264 -0.898 . . . . 0.0 110.884 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -73.4 -33.98 65.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.056 -1.027 . . . . 0.0 110.104 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 74' ' ' PHE . 71.7 t -71.8 -40.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.109 -0.995 . . . . 0.0 109.799 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.65 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.33 -37.15 84.7 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.72 0.771 . . . . 0.0 109.111 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.74 -39.92 93.27 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.571 -1.331 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -51.34 -34.7 34.95 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.447 HG21 ' CD ' ' A' ' 72' ' ' GLN . 54.5 t -60.15 -42.37 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.332 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.506 ' C ' ' N ' ' B' ' 87' ' ' ASN . 34.8 m -141.26 59.24 1.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 28.8 m120 -52.92 -11.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.506 ' N ' ' C ' ' B' ' 85' ' ' CYS . 2.2 p-10 43.32 36.81 1.14 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.457 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -109.67 -58.15 2.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.249 -0.907 . . . . 0.0 110.881 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' B' ' 91' ' ' GLU . 34.8 t80 -70.02 -30.36 67.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.912 -1.117 . . . . 0.0 111.152 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' B' ' 87' ' ' ASN . 47.6 m95 65.02 51.12 1.75 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.515 -0.741 . . . . 0.0 109.846 -178.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' B' ' 89' ' ' PHE . 75.1 mm-40 -59.99 -24.42 64.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -69.25 -13.65 62.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.53 -179.817 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.853 0 N-CA-C 119.25 2.46 . . . . 0.0 119.25 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.54 ' OG ' ' OE2' ' B' ' 40' ' ' GLU . 43.1 p -80.67 167.01 20.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.273 -1.133 . . . . 0.0 109.329 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.31 -40.11 89.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 110.212 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.23 -42.07 72.72 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -61.74 -40.2 94.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.056 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -40.04 88.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.316 -0.865 . . . . 0.0 109.246 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.11 85.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.577 -0.702 . . . . 0.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.95 -1.094 . . . . 0.0 110.271 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.06 -40.31 89.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.978 -1.076 . . . . 0.0 110.373 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -62.15 -40.05 94.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 110.663 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 93.7 mt -59.98 -39.73 86.69 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.044 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.18 -43.92 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.914 -1.117 . . . . 0.0 110.219 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.06 -40.07 88.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.996 -1.065 . . . . 0.0 110.939 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 6.1 t -69.24 -31.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 120.273 -1.517 . . . . 0.0 110.413 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.8 m-30 -54.61 -37.74 65.94 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 30.9 m-70 -59.46 -33.39 71.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -53.06 -56.44 16.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.881 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.06 -0.21 42.34 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 120.846 -1.159 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.3 m -135.62 -2.92 2.38 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.801 -1.187 . . . . 0.0 110.658 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -70.07 -40.52 72.45 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.325 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -75.63 -9.11 58.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.149 -1.206 . . . . 0.0 109.464 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -77.4 143.86 38.34 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.81 -39.41 95.35 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.34 137.16 33.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.207 -1.172 . . . . 0.0 109.975 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -70.01 -24.76 63.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.62 161.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.992 -1.067 . . . . 0.0 109.137 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' HG23 ' A' ' 69' ' ' VAL . 18.9 tptp -50.78 -85.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.985 -1.072 . . . . 0.0 108.584 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.673 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 173.0 -175.32 0.06 Allowed 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.179 -0.95 . . . . 0.0 110.393 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 p -46.66 146.28 1.6 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.225 -1.547 . . . . 0.0 110.157 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HG2' HG13 ' A' ' 69' ' ' VAL . 36.2 mtpt -60.04 -50.09 75.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.383 -0.823 . . . . 0.0 111.598 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.637 -1.29 . . . . 0.0 110.605 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -71.72 -32.5 67.83 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.811 -1.156 . . . . 0.0 109.437 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.04 -44.3 94.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.599 -1.313 . . . . 0.0 108.756 178.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -40.46 75.75 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.866 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.59 -40.14 94.98 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.118 -1.614 . . . . 0.0 109.849 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.53 -52.23 65.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.42 -0.8 . . . . 0.0 110.592 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.04 -39.76 68.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.998 -1.064 . . . . 0.0 111.919 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -22.5 66.92 Favored 'General case' 0 C--N 1.288 -2.104 0 O-C-N 120.63 -1.294 . . . . 0.0 108.31 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -72.33 -39.96 67.79 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.952 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 11.6 pt-20 -90.99 -7.22 52.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.297 -0.877 . . . . 0.0 110.198 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -104.77 42.22 1.24 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m -59.96 -40.04 87.7 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.285 -0.885 . . . . 0.0 110.137 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.3 p -58.43 -24.21 59.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.404 -0.81 . . . . 0.0 110.147 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.01 -23.65 63.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.593 -1.317 . . . . 0.0 107.483 179.528 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -78.07 -9.13 59.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.88 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 109.962 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 47' ' ' VAL . 2.6 p -157.07 82.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.983 -1.073 . . . . 0.0 110.717 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.71 17.88 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.925 -1.109 . . . . 0.0 108.418 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' ALA . 28.3 mtpt -103.94 -50.46 3.38 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.661 -0.649 . . . . 0.0 110.234 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -102.34 102.39 12.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.177 -0.952 . . . . 0.0 110.81 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -18.79 57.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.552 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -71.58 -40.06 70.16 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.719 -0.613 . . . . 0.0 109.432 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.36 66.78 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.301 -0.874 . . . . 0.0 109.156 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 58' ' ' MET . 61.1 t -59.66 -39.95 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.0 -40.06 92.09 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 37.2 ttpt -65.95 -41.64 91.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.158 -0.964 . . . . 0.0 109.807 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.48 -41.67 88.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.528 -0.732 . . . . 0.0 110.111 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.8 -28.51 68.82 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.61 -39.81 92.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.313 -0.867 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 44.4 mp0 -69.98 -36.36 75.14 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.698 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 10.1 mt -75.71 -24.42 56.21 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.9 -1.125 . . . . 0.0 110.239 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -92.84 -29.35 16.0 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.856 -1.153 . . . . 0.0 110.846 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -69.71 -34.31 73.71 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.171 -0.956 . . . . 0.0 108.547 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -151.13 54.36 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.06 -29.46 14.82 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -87.05 0.39 55.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.58 -0.953 . . . . 0.0 109.338 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.44 -153.5 3.27 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -142.53 159.56 42.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.467 -1.019 . . . . 0.0 110.624 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.678 HG23 ' HB3' ' A' ' 27' ' ' LYS . 2.7 m -130.94 159.88 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.529 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 32.1 t0 -127.27 -160.28 0.99 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -62.25 -45.18 94.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 0.0 111.23 -178.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 61.8 tt0 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.737 -1.227 . . . . 0.0 109.903 -178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.5 mt-10 -80.62 -39.93 26.57 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.71 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -70.24 -38.67 75.22 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.035 -1.041 . . . . 0.0 108.759 179.253 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.406 HG23 ' CD2' ' A' ' 74' ' ' PHE . 53.4 t -73.84 -40.18 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.382 -0.823 . . . . 0.0 110.778 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.5 t -70.78 -41.51 77.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.483 -0.761 . . . . 0.0 111.122 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.59 -35.75 70.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.4 t -69.93 -40.1 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.116 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.26 84.93 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.871 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -64.18 -34.02 77.13 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 54.8 tp -68.24 -40.06 82.11 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 109.805 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 85' ' ' CYS . 4.1 m -63.99 -36.83 85.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.602 -1.311 . . . . 0.0 109.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.871 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.7 p -50.98 -30.39 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -59.98 -37.59 80.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' THR . 30.2 t -140.18 58.33 1.59 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' ASN . 64.8 t30 -48.38 -18.99 0.27 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' ASN . 43.0 t30 47.13 172.86 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.339 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' CG ' ' A' ' 87' ' ' ASN . 70.2 t80 -179.78 -65.36 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -90.97 -21.84 21.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.978 . . . . 0.0 109.427 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -88.68 57.12 4.03 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.316 -0.865 . . . . 0.0 109.432 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HA ' HD21 ' A' ' 87' ' ' ASN . 14.9 pt-20 -67.08 139.61 57.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -70.21 156.72 38.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.711 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.503 -179.832 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.55 ' OG ' ' OE2' ' A' ' 40' ' ' GLU . 51.1 p -80.4 167.32 20.35 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -1.113 . . . . 0.0 109.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.38 -40.13 89.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.297 -0.877 . . . . 0.0 110.229 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.93 -42.27 73.5 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.845 -1.159 . . . . 0.0 109.702 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.67 -40.25 94.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.137 -0.977 . . . . 0.0 110.121 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 87.4 m -60.16 -39.91 88.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.276 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.14 85.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.608 -0.682 . . . . 0.0 110.536 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -49.01 79.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.994 -1.067 . . . . 0.0 110.293 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.11 -40.46 89.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.903 -1.123 . . . . 0.0 110.471 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -62.39 -39.84 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.752 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.1 mt -59.99 -39.89 87.29 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.138 -0.976 . . . . 0.0 109.922 -179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.03 -43.79 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.835 -1.166 . . . . 0.0 110.313 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.909 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 5.9 t -69.64 -31.83 50.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.9 m-30 -54.5 -37.96 65.92 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' B' ' 20' ' ' GLY . 30.3 m-70 -59.21 -33.56 71.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -52.97 -56.42 16.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.295 -0.878 . . . . 0.0 109.891 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.01 -0.32 42.27 Favored 'General case' 0 N--CA 1.511 2.577 0 O-C-N 120.81 -1.181 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.418 ' N ' ' O ' ' B' ' 15' ' ' PHE . 4.2 m -135.56 -2.96 2.39 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.773 -1.205 . . . . 0.0 110.651 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -70.27 -39.93 70.79 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.296 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -75.92 -9.28 58.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.248 . . . . 0.0 109.289 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -77.39 143.63 38.52 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.6 -39.27 94.87 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.46 137.06 34.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -69.99 -25.0 63.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.661 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -48.43 161.34 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.04 -1.038 . . . . 0.0 109.176 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.703 ' HB3' HG23 ' B' ' 69' ' ' VAL . 19.3 tptp -50.94 -85.09 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.991 -1.068 . . . . 0.0 108.614 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.674 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 172.77 -175.4 0.05 Allowed 'General case' 0 N--CA 1.51 2.569 0 O-C-N 121.159 -0.963 . . . . 0.0 110.352 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -46.7 146.39 1.58 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.181 -1.574 . . . . 0.0 110.048 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' B' ' 69' ' ' VAL . 35.7 mtpt -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.498 -0.751 . . . . 0.0 111.63 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -60.03 -40.58 89.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.568 -1.332 . . . . 0.0 110.598 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -71.81 -32.49 67.64 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.362 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.855 HD12 ' O ' ' B' ' 33' ' ' LEU . 0.4 OUTLIER -60.15 -44.38 95.03 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.643 -1.285 . . . . 0.0 108.836 178.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.418 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 0.2 OUTLIER -69.84 -40.52 75.79 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.637 -177.805 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.62 -40.0 94.72 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.136 -1.602 . . . . 0.0 109.859 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.7 -52.19 65.32 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.549 -0.719 . . . . 0.0 110.472 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.96 -39.87 69.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.975 -1.078 . . . . 0.0 111.923 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -22.09 66.69 Favored 'General case' 0 C--N 1.287 -2.14 0 O-C-N 120.672 -1.267 . . . . 0.0 108.405 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -72.63 -40.02 66.77 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.926 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 11.7 pt-20 -91.11 -7.48 51.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.355 -0.84 . . . . 0.0 110.267 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 93.8 mt -104.54 42.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.0 m -60.19 -39.7 87.44 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.129 -0.982 . . . . 0.0 109.992 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -58.51 -24.35 60.31 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 110.033 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.04 -23.43 63.73 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.547 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.23 -9.04 59.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.93 -40.05 87.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.303 -0.873 . . . . 0.0 109.966 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.465 ' O ' HG22 ' B' ' 47' ' ' VAL . 2.6 p -157.17 82.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 110.764 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.28 17.05 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.009 -1.057 . . . . 0.0 108.435 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' B' ' 84' ' ' ALA . 26.0 mtpt -103.64 -50.53 3.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.674 -0.641 . . . . 0.0 110.209 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -102.03 102.62 13.14 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.183 -0.948 . . . . 0.0 110.783 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.16 -18.73 57.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 108.597 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -71.71 -39.99 69.8 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.771 -0.581 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.4 66.92 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.803 . . . . 0.0 109.061 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.483 ' O ' ' SD ' ' B' ' 58' ' ' MET . 58.7 t -59.48 -40.03 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -60.92 -39.96 91.39 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.276 0.56 . . . . 0.0 110.583 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 37.3 ttpt -66.08 -41.73 90.34 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.173 -0.954 . . . . 0.0 109.752 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.57 -41.29 87.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.569 -0.707 . . . . 0.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.593 ' SD ' ' N ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -61.07 -28.73 69.29 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.261 -0.899 . . . . 0.0 109.214 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.28 -39.86 91.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.761 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 44.6 mp0 -70.05 -36.22 74.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.79 -1.194 . . . . 0.0 110.798 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 10.2 mt -75.89 -24.5 55.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.934 -1.104 . . . . 0.0 110.157 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -92.5 -29.6 16.14 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.82 -1.175 . . . . 0.0 110.927 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.48 -34.44 74.34 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.185 -0.947 . . . . 0.0 108.638 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -151.16 54.44 0.87 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.07 -29.74 15.41 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -86.62 0.08 55.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.582 -0.952 . . . . 0.0 109.267 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.1 -153.32 2.94 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mp0 -142.88 159.61 41.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -1.093 . . . . 0.0 110.525 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' B' ' 27' ' ' LYS . 2.7 m -130.92 160.01 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.533 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 32.6 t0 -127.49 -160.58 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.411 -0.806 . . . . 0.0 108.954 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.1 p90 -61.77 -45.44 93.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 0.0 111.363 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.603 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 61.9 tt0 -70.05 -27.23 64.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.699 -1.25 . . . . 0.0 109.783 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -81.01 -39.79 25.31 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 121.052 -1.03 . . . . 0.0 109.709 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.464 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -70.1 -39.31 75.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.133 -0.979 . . . . 0.0 108.694 179.202 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' B' ' 74' ' ' PHE . 54.4 t -73.35 -40.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.372 -0.83 . . . . 0.0 110.99 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.4 t -70.88 -41.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 O-C-N 121.441 -0.787 . . . . 0.0 111.029 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.72 -35.62 70.24 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.288 -0.883 . . . . 0.0 109.851 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.9 t -70.13 -40.06 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.852 . . . . 0.0 110.103 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.54 85.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.87 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -64.03 -34.31 77.72 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 56.2 tp -68.05 -40.01 82.89 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.925 -1.11 . . . . 0.0 110.036 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.534 ' O ' ' N ' ' B' ' 85' ' ' CYS . 4.1 m -63.91 -37.08 86.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.661 -1.274 . . . . 0.0 109.093 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.87 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.9 p -50.84 -30.39 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.07 -37.32 79.57 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' B' ' 82' ' ' THR . 30.7 t -140.25 58.43 1.58 Allowed 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' B' ' 87' ' ' ASN . 65.0 t30 -48.41 -19.08 0.28 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.509 ' N ' ' C ' ' B' ' 85' ' ' CYS . 42.9 t30 47.0 172.59 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.412 179.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' B' ' 87' ' ' ASN . 70.7 t80 -179.66 -65.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -91.18 -21.83 20.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.129 -0.982 . . . . 0.0 109.28 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -88.44 56.36 3.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.53 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.456 ' HA ' HD21 ' B' ' 87' ' ' ASN . 13.4 pt-20 -66.12 140.02 58.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 0.0 109.413 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -70.19 156.77 38.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 0.0 109.601 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.51 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.902 0.382 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' B' ' 18' ' ' HIS . 50.6 mt -69.98 -40.45 75.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.87 -39.28 93.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.346 -0.846 . . . . 0.0 109.452 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.78 -39.78 86.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.506 -0.746 . . . . 0.0 109.59 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.17 84.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -0.911 . . . . 0.0 110.277 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.81 91.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.861 -1.149 . . . . 0.0 110.43 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.94 -40.01 94.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.046 -1.034 . . . . 0.0 110.686 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.5 m -63.06 -40.21 97.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.9 -1.125 . . . . 0.0 110.895 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 83.1 mt -60.42 -39.93 89.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.008 -1.057 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.08 -40.8 90.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.987 -1.07 . . . . 0.0 110.047 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.34 -41.63 98.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.93 -31.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.752 -1.218 . . . . 0.0 110.081 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m-30 -57.91 -38.61 76.18 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.0 t-80 -60.06 -36.04 76.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.56 -57.64 6.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.526 -1.359 . . . . 0.0 109.382 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' B' ' 4' ' ' LEU . 77.6 m80 -79.93 -47.83 14.39 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.968 -1.082 . . . . 0.0 111.056 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.9 m -81.02 -9.94 59.77 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.126 -0.984 . . . . 0.0 112.35 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.495 2.572 0 O-C-N 120.602 -1.311 . . . . 0.0 111.369 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.403 ' C ' ' H ' ' A' ' 28' ' ' LEU . 11.5 m-85 -50.01 172.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 69' ' ' VAL . 23.8 tptt -82.03 19.1 1.19 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.719 -1.238 . . . . 0.0 108.631 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' N ' HD23 ' A' ' 28' ' ' LEU . 2.9 mt 81.61 -176.06 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.789 0 CA-C-O 122.616 1.198 . . . . 0.0 112.004 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 m -67.67 150.93 48.09 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -56.41 -36.68 69.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.961 -1.087 . . . . 0.0 110.723 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -60.06 -44.16 94.92 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.77 -1.206 . . . . 0.0 110.101 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' LEU . 81.0 tt0 -73.53 -56.13 5.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.882 -1.136 . . . . 0.0 111.059 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.13 -39.42 2.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.898 -1.126 . . . . 0.0 110.587 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.907 ' N ' HD13 ' A' ' 33' ' ' LEU . 25.0 tptp -66.61 -40.27 88.73 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.311 -1.493 . . . . 0.0 110.212 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 44.0 t0 -60.23 -39.66 87.45 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.562 -1.336 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.94 -56.61 9.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.53 -0.731 . . . . 0.0 112.572 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.7 mm? -76.22 -40.09 53.0 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.733 -1.229 . . . . 0.0 112.193 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -54.76 -27.63 42.7 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.137 -0.977 . . . . 0.0 108.716 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -94.89 -41.67 9.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.509 -0.745 . . . . 0.0 109.107 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.99 -38.05 81.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.399 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 12.8 mt -86.4 39.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -46.05 -40.49 10.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.265 -0.897 . . . . 0.0 110.625 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 19.0 m -58.62 -16.71 17.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 26.8 t80 -59.97 -43.73 94.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.0 mp -63.93 -14.09 50.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' SER . 48.4 t0 -57.33 -35.71 70.23 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.386 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 47' ' ' VAL . 1.6 p -166.24 87.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.728 -1.232 . . . . 0.0 111.315 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.05 140.13 56.28 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.1 mmmt -108.97 -81.02 0.57 Allowed 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 -178.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -93.84 108.74 20.49 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.0 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.06 59.93 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -71.53 -40.02 70.34 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.73 58.11 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.168 -0.958 . . . . 0.0 108.828 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -40.0 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -60.34 -40.46 90.75 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.073 0.464 . . . . 0.0 111.415 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.72 -39.97 76.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 110.13 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 81' ' ' LEU . 1.5 mp -64.25 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -25.59 68.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.449 -0.782 . . . . 0.0 108.908 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -64.4 -40.02 94.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.5 -0.75 . . . . 0.0 111.067 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.29 -38.09 74.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.693 -1.255 . . . . 0.0 110.995 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD13 ' HB2' ' A' ' 34' ' ' LYS . 2.9 mt -78.91 -22.45 45.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.022 -1.049 . . . . 0.0 110.543 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.99 -30.25 15.43 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.777 -1.202 . . . . 0.0 109.996 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.17 -34.63 71.12 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 66' ' ' ASP . 48.3 t30 -151.65 56.76 0.86 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.74 -13.99 0.96 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 64' ' ' ASN . 97.0 m-20 -85.3 0.27 52.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -1.013 . . . . 0.0 108.904 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -62.21 -150.73 0.02 OUTLIER Glycine 0 N--CA 1.479 1.547 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -145.71 154.62 42.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.358 -1.083 . . . . 0.0 111.307 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.4 m -139.94 142.68 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.7 t0 -128.24 -154.74 0.65 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.3 p90 -61.32 -48.64 80.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.283 -0.886 . . . . 0.0 112.285 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 1.044 ' CD ' ' CG2' ' B' ' 83' ' ' VAL . 63.6 tt0 -70.01 -28.1 65.22 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.537 -1.352 . . . . 0.0 109.07 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 28.5 mm-40 -80.82 -36.96 30.89 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.2 t80 -69.93 -38.25 76.14 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.413 -0.804 . . . . 0.0 109.218 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.859 HG11 ' HB2' ' B' ' 79' ' ' ALA . 49.7 t -76.75 -42.56 33.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 O-C-N 121.499 -0.751 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.543 HG13 HG13 ' B' ' 76' ' ' VAL . 76.9 t -72.68 -39.98 61.19 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 O-C-N 121.272 -0.893 . . . . 0.0 110.417 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.31 -39.9 64.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.49 -0.756 . . . . 0.0 110.505 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 74' ' ' PHE . 88.6 t -71.98 -37.68 61.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.405 -0.809 . . . . 0.0 109.04 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.855 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -66.64 -36.72 83.24 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.917 ' HA ' HE21 ' B' ' 72' ' ' GLN . . . -60.25 -42.45 95.32 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.896 0.855 . . . . 0.0 108.754 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 57' ' ' ILE . 94.1 mt -60.1 -40.99 91.55 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.443 -1.411 . . . . 0.0 107.909 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 86' ' ' ASN . 1.2 m -49.97 -30.02 9.63 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.512 -0.742 . . . . 0.0 109.182 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.039 ' CG2' ' CD ' ' B' ' 72' ' ' GLN . 47.1 t -59.95 -45.51 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-O 122.291 1.043 . . . . 0.0 108.396 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.616 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -68.95 -21.87 64.16 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.861 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.3 t -135.94 29.74 3.11 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.567 -1.333 . . . . 0.0 108.165 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 82' ' ' THR . 40.9 p30 . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.831 . . . . 0.0 109.9 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 18' ' ' HIS . 50.8 mt -69.89 -40.64 75.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.028 -1.045 . . . . 0.0 109.157 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.67 -39.29 93.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.4 -0.812 . . . . 0.0 109.372 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.82 -39.9 86.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 109.53 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.23 84.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.0 110.284 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.67 92.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.993 -1.067 . . . . 0.0 110.489 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.97 -40.1 94.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.092 . . . . 0.0 110.821 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -62.92 -39.96 96.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.02 -1.05 . . . . 0.0 110.946 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.7 mt -60.49 -40.08 90.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.042 -1.036 . . . . 0.0 111.009 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -41.17 91.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.965 -1.084 . . . . 0.0 109.994 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.99 -41.58 99.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.177 -0.952 . . . . 0.0 111.401 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.18 -31.33 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.612 -1.305 . . . . 0.0 110.177 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 9.0 m-30 -58.3 -38.42 77.01 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.0 t-80 -60.04 -35.84 75.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.58 7.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 4' ' ' LEU . 77.4 m80 -79.97 -48.03 14.02 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.943 -1.098 . . . . 0.0 111.001 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -80.87 -10.09 59.76 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.099 -1.001 . . . . 0.0 112.319 -177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.557 0 C-N-CA 119.44 -1.362 . . . . 0.0 111.433 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.411 ' C ' ' H ' ' B' ' 28' ' ' LEU . 11.4 m-85 -49.96 173.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 69' ' ' VAL . 23.2 tptt -82.31 19.22 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.812 1.292 . . . . 0.0 108.634 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.536 HD23 ' N ' ' B' ' 28' ' ' LEU . 2.9 mt 81.51 -176.24 0.05 Allowed 'General case' 0 N--CA 1.514 2.767 0 CA-C-O 122.513 1.149 . . . . 0.0 112.176 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -67.56 150.32 48.97 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -55.83 -36.98 68.08 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.987 -1.07 . . . . 0.0 110.677 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -60.02 -44.25 94.72 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.794 -1.191 . . . . 0.0 109.97 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 33' ' ' LEU . 81.0 tt0 -73.34 -56.24 5.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.784 -1.197 . . . . 0.0 111.08 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.946 HD22 ' O ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -42.88 -39.4 2.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.94 -1.1 . . . . 0.0 110.61 -178.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.88 ' N ' HD13 ' B' ' 33' ' ' LEU . 24.9 tptp -66.83 -40.2 87.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.097 -1.627 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 44.6 t0 -60.06 -39.88 87.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.633 -1.292 . . . . 0.0 109.213 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.03 -56.53 9.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.581 -0.699 . . . . 0.0 112.638 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.552 HD22 ' N ' ' B' ' 37' ' ' LEU . 3.8 mm? -76.32 -40.16 52.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.7 -1.25 . . . . 0.0 112.224 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -54.52 -27.64 39.67 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 121.138 -0.976 . . . . 0.0 108.712 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -94.91 -41.68 9.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.451 -0.781 . . . . 0.0 109.085 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.95 -37.98 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 12.9 mt -86.76 39.47 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -45.74 -40.56 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.363 -0.836 . . . . 0.0 110.589 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 19.9 m -58.62 -16.95 18.26 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 27.2 t80 -60.07 -43.48 95.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.542 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.1 mp -64.08 -14.25 53.23 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' B' ' 43' ' ' SER . 48.4 t0 -57.2 -35.66 69.89 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.282 -0.886 . . . . 0.0 109.404 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.5 HG22 ' O ' ' B' ' 47' ' ' VAL . 1.9 p -166.38 87.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.729 -1.232 . . . . 0.0 111.427 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.24 140.02 56.03 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.888 -1.132 . . . . 0.0 107.949 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.643 ' N ' ' O ' ' B' ' 84' ' ' ALA . 16.8 mmmt -108.85 -80.89 0.57 Allowed 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -93.95 108.64 20.42 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.15 0.976 . . . . 0.0 109.002 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.39 59.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -71.22 -39.88 71.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.514 -0.741 . . . . 0.0 109.797 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.84 56.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 108.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -40.0 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -60.37 -40.42 90.73 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 121.097 0.475 . . . . 0.0 111.498 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -69.98 -40.03 75.58 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.144 -0.972 . . . . 0.0 109.979 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.473 HG21 HD21 ' B' ' 81' ' ' LEU . 1.5 mp -64.12 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -25.91 68.27 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -64.21 -40.04 95.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 111.117 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.2 -38.4 75.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.656 -1.278 . . . . 0.0 110.984 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' B' ' 34' ' ' LYS . 2.9 mt -78.64 -22.73 46.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 110.567 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.8 -30.01 15.69 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.69 -1.256 . . . . 0.0 110.061 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.39 -34.47 70.42 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' B' ' 66' ' ' ASP . 48.9 t30 -151.56 56.42 0.87 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.5 -14.23 0.92 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' B' ' 64' ' ' ASN . 96.9 m-20 -85.07 0.03 52.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -1.05 . . . . 0.0 108.957 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -62.02 -150.83 0.02 OUTLIER Glycine 0 N--CA 1.48 1.581 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -145.78 154.74 42.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.246 -1.149 . . . . 0.0 111.042 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 m -139.96 142.67 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.8 t0 -128.24 -154.67 0.65 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.1 p90 -61.45 -48.8 79.49 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.297 -0.877 . . . . 0.0 112.218 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 1.039 ' CD ' ' CG2' ' A' ' 83' ' ' VAL . 63.9 tt0 -69.92 -28.02 65.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.511 -1.368 . . . . 0.0 109.047 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 29.2 mm-40 -80.83 -36.87 30.99 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.545 ' O ' HG23 ' B' ' 78' ' ' VAL . 4.5 t80 -70.04 -38.47 75.84 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.417 -0.802 . . . . 0.0 109.229 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 79' ' ' ALA . 53.7 t -76.33 -42.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.443 -0.786 . . . . 0.0 111.166 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.543 HG13 HG13 ' A' ' 76' ' ' VAL . 75.9 t -72.75 -39.99 60.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 O-C-N 121.216 -0.927 . . . . 0.0 110.493 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 110.405 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 74' ' ' PHE . 78.3 t -72.11 -37.75 60.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.332 -0.855 . . . . 0.0 109.015 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.859 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.56 -36.72 83.34 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.969 ' HA ' HE21 ' A' ' 72' ' ' GLN . . . -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.854 0.835 . . . . 0.0 108.821 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.473 HD21 HG21 ' B' ' 57' ' ' ILE . 92.4 mt -60.07 -40.9 91.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.457 -1.402 . . . . 0.0 107.766 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 86' ' ' ASN . 1.3 m -50.06 -30.02 10.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.436 -0.79 . . . . 0.0 109.27 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 1.044 ' CG2' ' CD ' ' A' ' 72' ' ' GLN . 46.7 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.938 -1.102 . . . . 0.0 108.429 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.643 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -68.95 -21.71 64.17 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.019 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -136.11 29.93 3.05 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.573 -1.329 . . . . 0.0 108.148 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.4 p30 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 0.0 109.961 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.02 0.438 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.584 HD13 HG11 ' B' ' 14' ' ' VAL . 0.7 OUTLIER -71.06 -42.08 69.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.896 -1.127 . . . . 0.0 110.341 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.32 -40.11 77.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.742 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.16 -39.9 88.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.355 -0.84 . . . . 0.0 109.764 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.75 91.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.178 -0.951 . . . . 0.0 110.324 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.814 -1.179 . . . . 0.0 110.03 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.9 -36.63 77.39 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 108.793 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -60.12 -38.7 83.81 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.507 -0.746 . . . . 0.0 109.935 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.862 -1.149 . . . . 0.0 110.356 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.18 -48.76 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.509 -1.369 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.99 -39.45 85.78 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.852 -1.155 . . . . 0.0 110.405 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.594 HG11 HD13 ' B' ' 4' ' ' LEU . 55.3 t -59.99 -38.93 78.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.043 -1.036 . . . . 0.0 110.088 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.77 -35.18 68.36 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.165 -0.959 . . . . 0.0 108.502 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -59.24 -37.64 78.06 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.33 -56.56 9.12 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 110.439 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -95.1 -48.47 5.94 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.675 -1.266 . . . . 0.0 111.283 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -73.73 -24.49 59.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.924 -1.11 . . . . 0.0 111.264 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -178.72 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' TYR . 49.5 mtmt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.204 0.526 . . . . 0.0 109.81 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 64.2 m-85 -49.3 175.27 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 109.117 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HB3' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -57.63 -79.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.846 -1.159 . . . . 0.0 109.42 -179.051 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.48 -177.06 1.4 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.106 -0.996 . . . . 0.0 108.711 -179.418 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -69.18 155.44 40.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -57.11 -49.4 76.03 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.516 -1.365 . . . . 0.0 111.676 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.65 -46.31 90.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.084 -1.635 . . . . 0.0 110.825 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.67 -40.01 91.93 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.869 -1.145 . . . . 0.0 109.08 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -56.1 -39.99 72.99 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.534 -0.729 . . . . 0.0 109.502 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.735 ' N ' HD13 ' A' ' 33' ' ' LEU . 34.6 tptt -72.37 -51.95 18.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.709 -1.245 . . . . 0.0 111.306 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 51.2 t0 -57.56 -28.97 64.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.409 -1.432 . . . . 0.0 109.772 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.18 -56.09 5.31 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.77 -0.581 . . . . 0.0 110.777 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.48 -55.07 6.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.119 -0.988 . . . . 0.0 111.593 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -48.56 -25.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.131 -0.98 . . . . 0.0 108.562 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 m -80.28 -38.54 30.6 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.96 -17.18 53.6 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 HD22 ' A' ' 81' ' ' LEU . 29.0 mt -96.2 33.02 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.6 m -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.696 -0.628 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 52.3 m -64.7 -26.06 68.21 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.917 -1.114 . . . . 0.0 108.958 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 57.4 m-85 -70.11 -24.21 63.16 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.622 -1.299 . . . . 0.0 107.88 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 10.7 mp -74.4 -0.96 18.96 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 43' ' ' SER . 96.2 m-20 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.293 -0.88 . . . . 0.0 109.566 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.52 90.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.212 -0.93 . . . . 0.0 109.484 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 45' ' ' LEU . 25.5 mp0 -68.69 113.26 6.02 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.382 -0.824 . . . . 0.0 110.601 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 84' ' ' ALA . 32.1 mmtp -80.57 -69.98 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -100.89 95.43 6.61 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.144 0.973 . . . . 0.0 110.462 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.5 63.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.734 -1.229 . . . . 0.0 108.672 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -70.69 -39.9 73.23 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.5 62.54 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.1 t -59.69 -37.9 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 47.8 t0 -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.9 -0.5 . . . . 0.0 110.587 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -67.47 -39.43 85.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.911 -1.118 . . . . 0.0 109.364 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.518 HD11 ' CB ' ' A' ' 80' ' ' ALA . 83.0 mt -59.9 -40.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.566 0.698 . . . . 0.0 109.217 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.3 -35.84 81.42 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.087 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' OE1' ' CD1' ' A' ' 77' ' ' LEU . 98.9 mt-10 -60.88 -40.03 91.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 110.621 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 28.5 mt -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.077 -1.014 . . . . 0.0 109.11 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 56.0 t0 -85.41 -30.95 23.17 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 109.864 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.76 -40.01 90.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.389 -0.819 . . . . 0.0 108.86 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 64' ' ' ASN . 13.7 p-10 -155.35 58.06 0.64 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -48.73 -27.37 6.19 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.58 0.05 57.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.98 . . . . 0.0 109.536 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.85 -154.3 1.36 Allowed Glycine 0 N--CA 1.479 1.535 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -143.94 159.25 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.335 -1.097 . . . . 0.0 111.267 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.689 HG23 ' HB3' ' A' ' 27' ' ' LYS . 15.7 m -133.49 146.92 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.507 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 3.8 m-20 -128.84 -152.88 0.54 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.24 -0.913 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.708 ' HZ ' HG22 ' B' ' 83' ' ' VAL . 8.8 p90 -59.49 -48.24 82.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.828 -0.545 . . . . 0.0 111.401 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.655 ' NE2' HG21 ' B' ' 83' ' ' VAL . 7.0 tt0 -69.97 -31.05 68.57 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.453 -1.405 . . . . 0.0 109.656 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 53.7 mp0 -83.52 -36.59 23.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.075 -1.016 . . . . 0.0 109.648 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 78' ' ' VAL . 9.9 t80 -70.02 -38.39 75.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 109.024 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' B' ' 79' ' ' ALA . 53.8 t -77.38 -44.53 30.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.067 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.829 HG13 HG13 ' B' ' 76' ' ' VAL . 95.8 t -71.56 -40.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 110.537 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD21 HG23 ' A' ' 57' ' ' ILE . 5.3 tp -71.92 -38.3 69.92 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.404 -0.81 . . . . 0.0 110.387 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 74' ' ' PHE . 72.2 t -69.63 -39.98 78.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.94 -1.1 . . . . 0.0 108.524 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -59.99 -38.63 83.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' C ' HD23 ' A' ' 81' ' ' LEU . 9.8 tt -62.15 -40.12 94.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.418 -1.426 . . . . 0.0 109.094 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.3 m -59.54 -30.6 68.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.559 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.734 HG22 ' HZ ' ' B' ' 71' ' ' PHE . 52.7 t -59.04 -39.96 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.83 -20.53 65.87 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.737 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 13.3 t -148.66 70.43 1.12 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.091 0.472 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.594 HD13 HG11 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -70.86 -42.26 70.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.986 -1.071 . . . . 0.0 110.345 -179.249 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.39 -39.92 77.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.035 -1.041 . . . . 0.0 109.721 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.15 -39.96 88.19 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.439 -0.788 . . . . 0.0 109.654 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.11 89.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.202 -0.937 . . . . 0.0 110.39 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.023 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.91 -36.57 77.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.18 -0.95 . . . . 0.0 108.804 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -38.91 83.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.431 -0.793 . . . . 0.0 109.917 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.853 -1.155 . . . . 0.0 110.375 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.08 -48.55 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.406 -1.434 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.01 -39.36 85.57 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.884 -1.135 . . . . 0.0 110.407 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.584 HG11 HD13 ' A' ' 4' ' ' LEU . 54.9 t -60.01 -38.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.001 -1.062 . . . . 0.0 110.162 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.93 -34.9 68.44 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -59.32 -37.86 78.85 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.09 -56.72 8.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.128 -0.982 . . . . 0.0 110.433 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.0 -48.73 5.86 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 120.653 -1.279 . . . . 0.0 111.25 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -73.5 -24.53 60.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.924 -1.11 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.412 0 C-N-CA 119.531 -1.319 . . . . 0.0 110.275 -178.735 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 26' ' ' TYR . 49.4 mtmt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.119 0.485 . . . . 0.0 109.924 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 25' ' ' LYS . 64.2 m-85 -49.17 175.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.14 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.705 ' HB3' HG23 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -57.34 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.764 -1.21 . . . . 0.0 109.374 -179.099 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -173.05 -177.12 1.51 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.034 -1.041 . . . . 0.0 108.736 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -69.07 155.42 40.39 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -57.08 -49.53 75.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.516 -1.365 . . . . 0.0 111.565 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -60.68 -46.38 90.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.127 -1.608 . . . . 0.0 110.862 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -65.62 -39.97 92.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.877 -1.139 . . . . 0.0 109.031 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.746 HD13 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -56.03 -39.99 72.8 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.558 -0.714 . . . . 0.0 109.542 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.746 ' N ' HD13 ' B' ' 33' ' ' LEU . 33.4 tptt -72.28 -52.18 17.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.815 -1.178 . . . . 0.0 111.265 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 51.5 t0 -57.47 -28.91 63.81 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.423 -1.423 . . . . 0.0 109.788 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.15 -56.06 5.35 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.694 -0.628 . . . . 0.0 110.775 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.46 -55.13 5.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.199 -0.938 . . . . 0.0 111.627 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.33 -25.85 1.77 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.239 -0.913 . . . . 0.0 108.537 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 13.2 m -80.01 -38.76 31.38 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.97 -16.99 54.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.462 HD13 HD22 ' B' ' 81' ' ' LEU . 25.4 mt -96.17 32.66 1.89 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.95 -40.07 87.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.663 -0.648 . . . . 0.0 110.711 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 53.5 m -64.62 -26.08 68.24 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.831 -1.168 . . . . 0.0 108.943 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 57.7 m-85 -70.27 -23.89 62.96 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.468 -1.293 . . . . 0.0 107.915 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 48' ' ' GLN . 10.6 mp -74.52 -1.1 19.89 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' B' ' 43' ' ' SER . 96.0 m-20 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.753 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.43 90.52 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.173 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 45' ' ' LEU . 25.7 mp0 -68.96 113.28 6.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.709 0.766 . . . . 0.0 110.547 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' B' ' 84' ' ' ALA . 32.4 mmtp -80.47 -70.05 0.55 Allowed 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.8 95.51 6.69 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-O 122.159 0.98 . . . . 0.0 110.489 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.8 63.88 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.769 -1.207 . . . . 0.0 108.742 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -70.64 -39.9 73.38 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.8 62.1 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.292 -0.88 . . . . 0.0 109.498 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.493 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.1 t -59.88 -37.83 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 47.8 t0 -60.04 -40.03 87.96 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.963 -0.461 . . . . 0.0 110.621 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -39.54 86.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.528 HD11 ' CB ' ' B' ' 80' ' ' ALA . 77.9 mt -60.07 -40.0 82.01 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.542 0.687 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttm -65.96 -35.96 82.03 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -60.02 -40.07 88.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.142 -0.974 . . . . 0.0 110.208 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' B' ' 77' ' ' LEU . 99.0 mt-10 -61.16 -40.04 92.37 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.253 -0.904 . . . . 0.0 110.525 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 30.2 mt -59.6 -27.44 66.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.109 -0.995 . . . . 0.0 109.168 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 57.4 t0 -85.69 -30.76 22.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.354 -0.841 . . . . 0.0 109.743 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.9 -40.03 91.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.352 -0.843 . . . . 0.0 108.807 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' B' ' 64' ' ' ASN . 13.6 p-10 -155.31 58.03 0.64 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -48.57 -27.57 6.09 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.57 0.05 57.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.485 -1.009 . . . . 0.0 109.563 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.96 -154.21 1.37 Allowed Glycine 0 N--CA 1.479 1.551 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -144.1 159.17 43.09 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.401 -1.058 . . . . 0.0 111.361 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.705 HG23 ' HB3' ' B' ' 27' ' ' LYS . 16.7 m -133.55 146.87 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.491 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 3.6 m-20 -128.73 -152.84 0.54 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.734 ' HZ ' HG22 ' A' ' 83' ' ' VAL . 9.0 p90 -59.51 -47.99 83.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.712 -0.617 . . . . 0.0 111.453 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.684 ' NE2' HG21 ' A' ' 83' ' ' VAL . 7.0 tt0 -70.09 -31.1 68.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.456 -1.402 . . . . 0.0 109.566 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 54.6 mp0 -83.57 -36.56 23.88 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.965 -1.084 . . . . 0.0 109.737 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.574 ' O ' HG23 ' B' ' 78' ' ' VAL . 8.9 t80 -70.05 -38.41 75.81 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 109.037 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 79' ' ' ALA . 53.3 t -77.2 -44.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.12 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.829 HG13 HG13 ' A' ' 76' ' ' VAL . 97.3 t -71.48 -40.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.343 -0.848 . . . . 0.0 110.515 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 57' ' ' ILE . 5.4 tp -72.09 -38.05 69.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 74' ' ' PHE . 75.6 t -69.57 -40.04 79.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.985 -1.072 . . . . 0.0 108.525 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.538 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -60.15 -39.89 87.94 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.528 ' CB ' HD11 ' B' ' 57' ' ' ILE . . . -59.97 -38.77 83.48 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.51 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.0 tt -62.33 -39.9 94.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.383 -1.448 . . . . 0.0 109.021 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.0 m -59.49 -30.44 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 0.0 109.445 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.708 HG22 ' HZ ' ' A' ' 71' ' ' PHE . 55.6 t -59.23 -39.95 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.95 -20.36 65.82 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.773 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 12.1 t -148.75 70.54 1.12 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.801 -1.187 . . . . 0.0 107.89 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.795 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.346 0.593 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -79.11 -50.25 11.32 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.25 -39.57 93.29 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.0 109.948 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.09 -40.12 92.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.438 -0.789 . . . . 0.0 110.122 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.18 90.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 110.354 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.94 93.27 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.035 -1.041 . . . . 0.0 109.433 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.8 -38.06 86.7 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.137 -0.977 . . . . 0.0 109.678 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -59.75 -40.19 87.31 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 110.124 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 87.1 mt -60.14 -40.76 90.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.98 -1.075 . . . . 0.0 110.409 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.1 -40.65 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.423 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.22 -40.28 95.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 25.5 t -73.8 -31.46 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.745 -1.222 . . . . 0.0 110.893 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.0 m-30 -55.91 -39.83 72.19 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.57 ' O ' ' N ' ' A' ' 20' ' ' GLY . 7.2 m-70 -62.93 -24.99 68.12 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.87 -50.54 73.4 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.011 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -90.41 -14.79 32.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.228 -0.92 . . . . 0.0 111.382 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 m -137.76 11.75 2.92 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.679 -1.263 . . . . 0.0 111.718 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.46 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mttp . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -51.67 168.04 0.09 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.845 -1.159 . . . . 0.0 108.133 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HB3' HG23 ' A' ' 69' ' ' VAL . 23.5 tptp -67.28 -80.33 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.978 -1.077 . . . . 0.0 109.744 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.18 -178.2 1.7 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 -178.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.462 ' H ' ' CD1' ' A' ' 28' ' ' LEU . 97.1 p -69.1 157.35 37.03 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -59.34 -48.28 82.24 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.695 -1.253 . . . . 0.0 112.304 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -60.55 -44.64 95.91 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 119.842 -1.786 . . . . 0.0 111.716 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.44 -40.83 73.53 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.663 -1.273 . . . . 0.0 108.858 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -48.93 -51.45 30.11 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.516 0.674 . . . . 0.0 109.755 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.694 ' N ' HD13 ' A' ' 33' ' ' LEU . 7.5 tptm -65.11 -40.23 94.23 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.552 -1.342 . . . . 0.0 111.913 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.65 -34.93 73.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.493 -1.38 . . . . 0.0 109.062 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 mt -72.25 -55.32 7.4 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.87 -42.45 63.65 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 119.601 -1.937 . . . . 0.0 111.245 -178.04 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -74.47 -39.79 62.27 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.435 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.03 -17.53 52.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.884 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 mt -100.98 32.95 2.99 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.141 -0.974 . . . . 0.0 108.653 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.585 0.707 . . . . 0.0 110.279 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -61.25 -26.82 68.02 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.517 -0.739 . . . . 0.0 110.087 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 32.2 m-85 -70.08 -19.91 63.24 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.78 -8.72 57.54 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' CG ' HG22 ' A' ' 47' ' ' VAL . 30.5 p-10 -48.91 -43.15 39.02 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.424 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.542 HG22 ' CG ' ' A' ' 46' ' ' ASP . 1.5 m -152.09 88.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.86 . . . . 0.0 109.275 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -68.43 111.36 4.62 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.022 -1.049 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.676 ' N ' ' O ' ' A' ' 84' ' ' ALA . 43.5 mmtm -79.53 -68.04 0.7 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -93.46 90.4 6.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 122.169 0.985 . . . . 0.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.57 -17.37 62.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.462 -0.774 . . . . 0.0 109.069 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.87 -38.41 76.39 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 121.626 -0.671 . . . . 0.0 109.605 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.55 60.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.213 -0.929 . . . . 0.0 109.96 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -58.61 -39.16 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.1 -40.56 90.1 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.26 0.552 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.2 -41.18 98.12 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.124 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 77' ' ' LEU . 77.6 mt -60.35 -41.02 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.611 -0.681 . . . . 0.0 109.74 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -56.68 -34.29 67.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.078 -1.014 . . . . 0.0 109.028 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.41 -39.78 91.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.04 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.48 -39.04 88.55 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.026 -1.046 . . . . 0.0 110.626 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 15.8 mt -69.64 -26.44 64.41 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 110.887 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -88.95 -37.04 15.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.552 -1.342 . . . . 0.0 110.305 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.4 -33.39 71.33 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLY . 26.5 m120 -145.5 45.59 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.396 -0.815 . . . . 0.0 109.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.26 -31.17 19.38 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.93 -0.3 56.81 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.474 -1.015 . . . . 0.0 108.484 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -65.57 -149.94 0.08 OUTLIER Glycine 0 N--CA 1.477 1.418 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -154.07 155.24 35.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.112 . . . . 0.0 110.967 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.698 HG21 ' HG ' ' A' ' 33' ' ' LEU . 23.0 m -133.82 153.27 36.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 15.7 m-20 -127.54 -158.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.575 -0.703 . . . . 0.0 109.449 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 33.3 p90 -59.48 -49.42 77.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.703 -0.623 . . . . 0.0 112.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.684 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.9 tt0 -69.99 -27.29 64.59 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.344 -1.472 . . . . 0.0 109.591 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 40.4 mt-10 -81.7 -38.97 24.98 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.756 0.789 . . . . 0.0 109.121 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -69.72 -38.51 76.92 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.461 -0.775 . . . . 0.0 109.228 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' B' ' 79' ' ' ALA . 54.7 t -73.34 -41.35 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.502 -0.749 . . . . 0.0 110.835 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG13 HG13 ' B' ' 76' ' ' VAL . 83.1 t -69.84 -40.61 79.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.147 -0.971 . . . . 0.0 109.46 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD11 HG23 ' A' ' 57' ' ' ILE . 8.9 tt -68.87 -38.03 79.46 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.417 -0.802 . . . . 0.0 110.545 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 74' ' ' PHE . 71.4 t -69.17 -40.17 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.903 -1.123 . . . . 0.0 109.282 -178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.578 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -61.17 -38.57 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.522 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD23 HG22 ' A' ' 54' ' ' VAL . 86.9 mt -65.23 -36.03 82.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.324 -1.485 . . . . 0.0 109.141 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -61.03 -36.84 80.61 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.086 -1.009 . . . . 0.0 109.462 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.85 -39.66 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -60.78 -24.58 65.88 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.404 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 18.1 t -144.46 60.68 1.34 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' ASN . 9.4 p-10 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.812 -1.18 . . . . 0.0 108.568 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.255 0.55 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.24 -49.82 11.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.576 -0.703 . . . . 0.0 110.581 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -61.93 -40.03 94.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.96 -1.088 . . . . 0.0 109.914 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.54 -40.91 93.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.838 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.78 91.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.498 -0.751 . . . . 0.0 110.42 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.12 92.73 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.181 -0.949 . . . . 0.0 109.514 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.25 -37.96 84.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.694 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.7 m -59.84 -39.5 85.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.268 -0.895 . . . . 0.0 109.981 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.2 mt -60.54 -41.07 93.74 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.882 -1.136 . . . . 0.0 110.596 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.87 -42.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.017 -1.052 . . . . 0.0 110.233 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.84 -40.35 92.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.017 -1.052 . . . . 0.0 111.454 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' ALA . 25.4 t -73.58 -33.43 39.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 120.549 -1.344 . . . . 0.0 110.596 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.3 m-30 -54.11 -39.94 66.86 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 20' ' ' GLY . 6.1 m-70 -61.94 -26.8 68.41 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -59.8 -47.91 83.82 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.569 -1.332 . . . . 0.0 109.398 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -92.5 -14.14 28.83 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.965 -1.084 . . . . 0.0 111.168 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -138.5 11.85 2.75 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.132 -0.98 . . . . 0.0 111.54 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.502 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -50.98 168.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.997 -1.064 . . . . 0.0 108.369 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HB3' HG23 ' B' ' 69' ' ' VAL . 23.6 tptp -68.35 -80.97 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.677 -1.265 . . . . 0.0 109.975 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.534 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -171.23 -178.81 2.49 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.106 -0.996 . . . . 0.0 109.231 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.47 ' H ' ' CD1' ' B' ' 28' ' ' LEU . 97.7 p -69.56 156.96 38.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -59.1 -49.17 78.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.431 -1.418 . . . . 0.0 112.359 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -59.91 -44.17 94.45 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.755 -1.841 . . . . 0.0 111.633 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.51 -41.05 73.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.539 -1.351 . . . . 0.0 109.102 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.706 HD21 HD11 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -49.12 -50.74 35.86 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.306 0.574 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.662 ' N ' HD13 ' B' ' 33' ' ' LEU . 6.9 tptm -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 120.762 -1.211 . . . . 0.0 111.424 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.738 -1.226 . . . . 0.0 109.4 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.52 -54.08 10.24 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.778 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -73.17 -42.4 62.79 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.018 -1.676 . . . . 0.0 111.243 -177.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.57 -29.17 67.76 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -74.45 -39.56 62.46 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.659 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.01 -19.11 48.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.494 -0.754 . . . . 0.0 109.268 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -99.53 32.84 2.66 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.196 -0.94 . . . . 0.0 109.053 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.085 -1.009 . . . . 0.0 110.365 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 85.1 p -63.31 -24.87 68.05 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.397 -0.815 . . . . 0.0 109.515 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.537 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 32.9 m-85 -71.13 -19.67 62.41 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.26 -7.17 54.32 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.558 ' CG ' HG22 ' B' ' 47' ' ' VAL . 29.5 p-10 -49.94 -43.77 50.06 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.237 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.558 HG22 ' CG ' ' B' ' 46' ' ' ASP . 1.2 m -151.84 89.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.876 -1.14 . . . . 0.0 109.041 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.97 111.89 5.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.937 . . . . 0.0 109.738 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.701 ' N ' ' O ' ' B' ' 84' ' ' ALA . 45.0 mmtm -79.83 -69.97 0.55 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.89 90.19 7.35 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 122.276 1.036 . . . . 0.0 109.995 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.85 62.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.59 -39.17 77.47 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.78 -0.575 . . . . 0.0 109.842 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.74 64.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.564 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -58.49 -39.07 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.43 -41.24 93.58 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.575 0.703 . . . . 0.0 110.196 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.58 -41.6 97.63 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.11 -0.994 . . . . 0.0 109.783 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' B' ' 80' ' ' ALA . 75.0 mt -60.14 -40.65 84.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.472 -0.768 . . . . 0.0 109.363 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -56.87 -35.55 69.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.129 -0.982 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.46 -40.5 91.43 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 110.567 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.62 -39.19 91.21 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.731 -1.231 . . . . 0.0 110.637 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 17.3 mt -69.47 -26.77 64.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.707 -1.245 . . . . 0.0 110.913 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -88.06 -37.95 15.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.672 -1.268 . . . . 0.0 110.501 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.59 0.71 . . . . 0.0 109.425 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -145.94 45.41 1.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.85 -32.39 18.38 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -86.19 -1.67 57.66 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.39 -150.24 0.08 OUTLIER Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -152.52 156.62 39.75 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.346 1.07 . . . . 0.0 111.071 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.689 HG21 ' HG ' ' B' ' 33' ' ' LEU . 17.3 m -134.42 153.51 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.593 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 14.7 m-20 -127.63 -158.0 0.85 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.717 0.77 . . . . 0.0 109.455 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 34.5 p90 -60.53 -49.44 77.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.898 -0.502 . . . . 0.0 111.882 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.692 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 65.4 tt0 -70.42 -26.49 63.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.336 -1.478 . . . . 0.0 109.364 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.593 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 43.0 mt-10 -81.67 -39.49 24.29 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.298 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.667 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.0 OUTLIER -69.12 -38.8 79.06 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.458 0.646 . . . . 0.0 109.352 179.138 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 79' ' ' ALA . 55.9 t -73.63 -41.16 55.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.276 -0.89 . . . . 0.0 110.862 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 72' ' ' GLN . 81.4 t -70.3 -39.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.432 HD11 HG23 ' B' ' 57' ' ' ILE . 10.0 tt -69.84 -38.44 76.52 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.849 -0.532 . . . . 0.0 110.219 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 74' ' ' PHE . 84.5 t -67.78 -40.62 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.751 -1.218 . . . . 0.0 108.734 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.612 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.11 -39.02 88.42 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.512 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.5 -38.9 85.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.431 -1.418 . . . . 0.0 108.999 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -60.37 -36.97 79.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.439 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.512 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -59.86 -39.02 78.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.701 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -60.9 -24.27 65.86 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 121.07 -1.019 . . . . 0.0 109.569 -179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.537 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 22.9 t -144.93 61.83 1.31 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' B' ' 86' ' ' ASN . 7.5 p-10 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 120.734 0.302 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.5 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 69.5 mt -73.53 -40.84 63.7 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.766 -1.209 . . . . 0.0 110.495 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.758 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 87.6 tt0 -61.96 -41.97 98.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.006 -1.059 . . . . 0.0 110.339 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.5 m -62.85 -40.03 96.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 111.064 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.1 76.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.992 -1.068 . . . . 0.0 111.176 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 tpt -59.98 -43.32 95.19 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.22 -39.94 88.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.022 -1.049 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -39.02 84.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.643 . . . . 0.0 110.275 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 110.114 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.94 -46.08 94.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.889 -1.132 . . . . 0.0 110.098 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.04 -40.88 95.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 111.708 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.82 -40.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 120.359 -1.463 . . . . 0.0 110.953 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.96 -33.35 64.7 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 20' ' ' GLY . 42.8 t-80 -57.86 -31.68 66.93 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.86 39.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.3 -41.0 64.07 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.894 -1.129 . . . . 0.0 110.807 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 3.4 m -103.67 19.89 19.01 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.962 -1.086 . . . . 0.0 111.053 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.486 2.01 0 C-N-CA 118.396 -1.859 . . . . 0.0 109.712 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 26' ' ' TYR . 97.6 mttt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' LYS . 84.7 m-85 -47.85 173.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.537 -0.727 . . . . 0.0 109.047 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' O ' ' OG ' ' A' ' 19' ' ' SER . 26.7 tptt -54.21 -76.85 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.666 -1.271 . . . . 0.0 108.898 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 69' ' ' VAL . 7.6 tp -171.31 -178.86 2.48 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.369 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' LEU . 4.3 m -70.04 155.28 40.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.467 -1.396 . . . . 0.0 109.622 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -59.9 -45.16 93.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLY . 41.8 tptt -70.13 -41.61 73.68 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.15 -0.969 . . . . 0.0 109.29 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -69.97 -37.67 75.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 108.922 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -55.24 -44.62 75.68 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.063 -1.023 . . . . 0.0 109.353 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 61' ' ' LEU . 1.1 tppp? -66.63 -47.85 71.3 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.415 -1.428 . . . . 0.0 112.41 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 60.7 t0 -60.16 -40.09 88.69 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.444 -1.41 . . . . 0.0 110.047 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.77 -54.6 15.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.686 -0.634 . . . . 0.0 112.468 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD11 ' HE2' ' A' ' 74' ' ' PHE . 3.5 mm? -70.25 -39.97 74.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.636 -1.29 . . . . 0.0 111.722 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.47 -29.06 67.55 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.682 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -79.05 -43.69 23.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.741 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 80.4 tt0 -60.34 -39.33 86.71 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PHE . 41.7 mt -89.83 37.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -48.11 -38.6 18.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 109.578 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 27.6 t -56.81 -16.22 6.19 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 16.6 t80 -50.89 -38.6 50.65 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.61 -11.7 54.65 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.607 ' CG ' HG22 ' A' ' 47' ' ' VAL . 15.2 p-10 -58.12 -42.82 86.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.447 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.607 HG22 ' CG ' ' A' ' 46' ' ' ASP . 6.7 m -159.43 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.242 -0.911 . . . . 0.0 110.174 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 9.3 pt20 -69.06 116.31 9.36 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.8 mmmp? -90.61 -80.12 0.34 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.382 -0.824 . . . . 0.0 110.526 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.62 101.09 11.91 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.034 -1.041 . . . . 0.0 110.276 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.56 60.83 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.97 -40.03 75.61 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.05 61.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.229 -0.919 . . . . 0.0 108.757 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -36.4 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.0 -41.3 91.79 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 121.525 -0.734 . . . . 0.0 109.471 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.6 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.38 -0.825 . . . . 0.0 109.115 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 80' ' ' ALA . 79.5 mt -60.0 -43.39 92.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.731 -0.606 . . . . 0.0 110.965 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.409 ' CE ' ' HZ3' ' A' ' 34' ' ' LYS . 25.0 mmt -60.55 -29.84 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 109.392 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -64.6 -40.06 94.83 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.36 -40.15 89.6 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.823 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 65' ' ' GLY . 4.6 mt -72.97 -26.9 61.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.928 -1.107 . . . . 0.0 109.181 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.93 -40.02 75.77 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.13 -39.85 87.72 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' ND2' ' CA ' ' A' ' 67' ' ' GLY . 64.0 t30 -154.24 70.81 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.95 -31.85 73.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 31.4 p-10 -84.58 0.59 49.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.996 . . . . 0.0 109.229 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' CA ' ' ND2' ' A' ' 64' ' ' ASN . . . -61.38 -149.71 0.01 OUTLIER Glycine 0 N--CA 1.48 1.569 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.31 159.84 43.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.467 -1.019 . . . . 0.0 110.153 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 28' ' ' LEU . 4.9 m -135.59 148.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 27.1 t0 -122.31 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.125 -0.985 . . . . 0.0 110.228 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -60.56 -49.14 78.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.586 -0.696 . . . . 0.0 111.355 -178.062 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.617 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 tm0? -70.25 -28.31 65.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.887 -1.133 . . . . 0.0 110.072 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 39.6 mt-10 -80.78 -35.14 33.56 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.288 -0.882 . . . . 0.0 108.695 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 78' ' ' VAL . 7.5 t80 -69.44 -39.12 78.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 109.185 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.476 HG13 HG13 ' B' ' 75' ' ' VAL . 53.2 t -75.1 -40.37 44.45 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.072 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.341 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 72' ' ' GLN . 69.1 t -72.48 -40.92 64.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 121.312 -0.867 . . . . 0.0 110.503 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.13 -39.9 68.47 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.491 -0.755 . . . . 0.0 110.384 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 74' ' ' PHE . 95.3 t -69.58 -39.37 78.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.93 -37.82 83.65 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.91 -23.34 63.21 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.93 0.871 . . . . 0.0 108.863 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 54' ' ' VAL . 2.9 tp -80.36 -35.98 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.647 -1.283 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' CYS . 83.6 m -69.93 -39.7 75.96 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.018 -1.051 . . . . 0.0 109.656 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.4 p -57.11 -37.17 54.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.29 -23.66 67.52 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 47' ' ' VAL . 48.6 t -145.15 64.92 1.26 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.708 0.766 . . . . 0.0 110.211 -177.236 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 58.7 mp0 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.785 0.326 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.486 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 68.7 mt -73.48 -41.04 63.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.779 -1.201 . . . . 0.0 110.476 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.741 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 86.4 tt0 -61.38 -42.32 98.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.98 -1.075 . . . . 0.0 110.475 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.71 -40.05 95.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.01 77.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 111.184 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.92 -43.62 94.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.912 -1.117 . . . . 0.0 110.506 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -40.1 88.21 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.971 -1.081 . . . . 0.0 109.282 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.614 -0.679 . . . . 0.0 110.152 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.73 -40.03 86.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.118 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -45.95 95.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.881 -1.137 . . . . 0.0 110.13 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.25 -40.66 94.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.017 -1.052 . . . . 0.0 111.682 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' B' ' 17' ' ' ALA . 67.4 t -61.1 -39.93 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.342 -1.474 . . . . 0.0 110.9 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -55.9 -33.32 64.53 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' B' ' 20' ' ' GLY . 43.0 t-80 -57.76 -31.91 66.96 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -61.1 -54.48 44.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.45 -40.86 63.85 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.85 -1.156 . . . . 0.0 110.866 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 3.4 m -103.73 19.84 19.15 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.928 -1.107 . . . . 0.0 111.165 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.486 1.972 0 C-N-CA 118.605 -1.76 . . . . 0.0 109.743 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 26' ' ' TYR . 97.7 mttt . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.435 ' O ' ' O ' ' B' ' 25' ' ' LYS . 83.8 m-85 -47.96 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.45 -0.781 . . . . 0.0 109.122 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' O ' ' OG ' ' B' ' 19' ' ' SER . 27.0 tptt -54.07 -77.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.431 -1.308 . . . . 0.0 109.021 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.626 ' O ' HG22 ' B' ' 69' ' ' VAL . 7.6 tp -171.1 -178.52 2.47 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.407 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 33' ' ' LEU . 4.2 m -70.42 155.33 40.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.399 -1.438 . . . . 0.0 109.625 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.03 -44.81 94.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.972 -1.08 . . . . 0.0 108.785 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' GLY . 42.8 tptt -70.16 -41.89 73.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.276 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -69.94 -37.44 75.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.735 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.1 tm? -55.43 -44.6 76.44 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.083 -1.01 . . . . 0.0 109.268 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.428 ' HB2' ' CD1' ' B' ' 61' ' ' LEU . 1.2 tppp? -66.43 -48.25 70.6 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.454 -1.404 . . . . 0.0 112.329 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 61.0 t0 -60.19 -40.0 88.47 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.46 -1.4 . . . . 0.0 110.08 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.85 -54.4 15.89 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.637 -0.664 . . . . 0.0 112.446 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.413 HD11 ' HE2' ' B' ' 74' ' ' PHE . 3.5 mm? -70.42 -39.85 74.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.601 -1.312 . . . . 0.0 111.676 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -59.66 -28.82 67.59 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 119.368 -0.933 . . . . 0.0 108.7 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -79.04 -43.65 23.81 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.758 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 78.9 tt0 -60.36 -39.29 86.66 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 44' ' ' PHE . 44.6 mt -89.99 37.49 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.2 t -47.97 -39.27 18.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.787 . . . . 0.0 109.577 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 27.2 t -56.74 -16.05 5.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 41' ' ' LEU . 15.8 t80 -51.03 -38.82 53.75 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.97 -12.24 53.47 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.61 ' CG ' HG22 ' B' ' 47' ' ' VAL . 15.2 p-10 -57.98 -43.03 86.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.093 -1.004 . . . . 0.0 109.628 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.61 HG22 ' CG ' ' B' ' 46' ' ' ASP . 6.9 m -159.22 93.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.939 . . . . 0.0 110.114 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' B' ' 48' ' ' GLN . 8.8 pt20 -69.16 116.17 9.3 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' B' ' 84' ' ' ALA . 1.7 mmmp? -90.83 -80.0 0.35 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.424 -0.797 . . . . 0.0 110.461 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.47 101.21 12.09 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.083 -1.01 . . . . 0.0 110.185 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.68 -16.54 60.76 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.688 -0.633 . . . . 0.0 109.391 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.2 60.63 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.276 -0.89 . . . . 0.0 108.836 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.504 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.87 -36.48 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -41.15 91.87 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.579 -0.7 . . . . 0.0 109.335 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.76 -39.99 95.6 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.903 0.859 . . . . 0.0 109.103 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' B' ' 80' ' ' ALA . 78.4 mt -60.13 -43.08 92.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.611 -0.681 . . . . 0.0 111.009 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.73 -29.8 69.59 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.79 -40.03 94.58 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.508 -0.745 . . . . 0.0 110.291 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.34 -40.04 89.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.692 -1.255 . . . . 0.0 110.844 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 65' ' ' GLY . 4.6 mt -73.0 -26.88 61.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.928 -1.107 . . . . 0.0 109.11 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.1 -40.04 75.18 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.88 -40.1 87.53 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 64.1 t30 -154.16 70.59 0.81 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.95 -31.49 72.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 29.8 p-10 -84.79 0.49 50.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.447 -1.031 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.435 ' CA ' ' ND2' ' B' ' 64' ' ' ASN . . . -61.68 -149.43 0.02 OUTLIER Glycine 0 N--CA 1.481 1.647 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.25 159.9 43.12 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.478 -1.013 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.2 m -135.58 148.21 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 26.9 t0 -122.36 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.1 p90 -60.53 -49.22 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.591 -0.693 . . . . 0.0 111.37 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 9.7 tm0? -70.1 -28.54 65.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.899 -1.126 . . . . 0.0 110.096 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 37.8 mt-10 -80.82 -34.75 33.69 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.11 -0.994 . . . . 0.0 108.724 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.503 ' O ' HG23 ' B' ' 78' ' ' VAL . 6.2 t80 -69.89 -38.93 76.48 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.844 0.83 . . . . 0.0 109.171 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.476 HG13 HG13 ' A' ' 75' ' ' VAL . 50.3 t -75.24 -40.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.062 0 O-C-N 121.51 -0.744 . . . . 0.0 111.378 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.62 -40.74 62.71 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.144 -0.973 . . . . 0.0 110.565 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.28 -39.67 68.17 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 110.273 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 74' ' ' PHE . 89.6 t -69.99 -38.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.469 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.16 -37.77 84.08 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.589 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -70.06 -23.66 63.12 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.787 0.803 . . . . 0.0 108.886 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.46 HD12 HG22 ' B' ' 54' ' ' VAL . 3.7 tp -79.97 -35.94 36.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 109.429 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' C ' ' B' ' 85' ' ' CYS . 86.4 m -70.03 -39.92 75.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.965 -1.085 . . . . 0.0 109.613 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -56.55 -37.58 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.08 -23.48 67.46 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' B' ' 47' ' ' VAL . 48.6 t -145.6 64.74 1.24 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.714 0.768 . . . . 0.0 110.184 -177.213 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 57.0 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.108 0.48 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.688 ' HG ' HD22 ' B' ' 37' ' ' LEU . 2.8 mm? -78.39 -51.88 9.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.068 -1.02 . . . . 0.0 110.58 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.97 -39.92 87.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.28 -0.888 . . . . 0.0 109.416 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -39.97 87.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.217 -0.927 . . . . 0.0 109.929 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.69 89.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.236 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.76 91.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.098 -1.001 . . . . 0.0 109.468 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.97 -39.42 85.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 0.0 109.316 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -59.79 -37.58 79.52 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 80.0 mt -58.28 -36.38 73.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.443 -0.786 . . . . 0.0 109.305 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mm -60.05 -40.09 82.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 120.978 -1.077 . . . . 0.0 108.816 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.15 -28.47 65.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.186 -0.946 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.871 -1.143 . . . . 0.0 110.411 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' SER . 10.0 m-85 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.509 -0.745 . . . . 0.0 109.165 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.09 -39.25 85.48 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.89 4.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.317 -0.864 . . . . 0.0 112.527 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CG ' HD21 ' A' ' 36' ' ' LEU . 81.4 m-70 -102.26 -0.01 33.66 Favored 'General case' 0 N--CA 1.514 2.739 0 O-C-N 120.725 -1.234 . . . . 0.0 112.05 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.5 m -139.19 12.41 2.6 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.613 -1.305 . . . . 0.0 109.864 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.776 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.193 0.521 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.8 p90 -54.16 165.61 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 43.9 tptt -50.76 -91.79 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.62 -1.3 . . . . 0.0 109.667 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 176.41 -176.27 0.12 Allowed 'General case' 0 N--CA 1.511 2.625 0 O-C-N 120.916 -1.115 . . . . 0.0 110.667 179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -49.3 144.55 5.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.684 -1.26 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HG2' HG13 ' A' ' 69' ' ' VAL . 12.3 mtmm -62.49 -42.04 99.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.481 -0.762 . . . . 0.0 112.2 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -62.91 -42.14 99.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.362 -1.461 . . . . 0.0 110.285 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.66 -31.35 68.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.055 -1.028 . . . . 0.0 109.364 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.735 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -59.99 -43.73 94.97 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 109.281 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HZ3' ' HG2' ' A' ' 58' ' ' MET . 3.9 tmtp? -66.22 -53.03 42.0 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.721 -1.237 . . . . 0.0 112.123 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.01 84.63 Favored 'General case' 0 C--N 1.289 -2.039 0 O-C-N 120.634 -1.291 . . . . 0.0 110.113 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 18' ' ' HIS . 61.0 tp -63.59 -56.46 15.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.562 -0.711 . . . . 0.0 112.229 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' B' ' 4' ' ' LEU . 87.7 mt -75.62 -35.82 60.38 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.396 -1.44 . . . . 0.0 112.366 -177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.3 -32.83 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 120.869 -1.144 . . . . 0.0 108.376 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.9 m -73.65 -41.18 63.06 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.072 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' B' ' 4' ' ' LEU . 33.0 tp10 -69.95 -38.56 76.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -0.818 . . . . 0.0 108.899 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD13 HD22 ' A' ' 81' ' ' LEU . 64.4 mt -87.36 34.15 0.69 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -60.17 -39.98 88.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.639 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.6 t -58.61 -30.33 67.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.111 -0.993 . . . . 0.0 108.431 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.4 m-85 -69.74 -34.95 74.54 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.34 -1.5 4.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' PHE . 57.8 t0 -59.98 -42.61 94.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.0 108.915 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.65 87.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.234 -0.917 . . . . 0.0 109.714 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -68.93 117.86 11.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.176 -0.952 . . . . 0.0 108.931 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 84' ' ' ALA . 67.1 mmtt -80.01 -69.88 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -98.35 87.78 3.97 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.167 0.984 . . . . 0.0 108.371 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.55 64.83 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -68.28 -39.74 82.04 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.59 77.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.978 -1.076 . . . . 0.0 108.356 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.569 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.36 -35.53 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.9 -40.01 91.48 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.784 -0.572 . . . . 0.0 111.266 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 4.1 mptp? -67.76 -40.03 84.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.957 -1.09 . . . . 0.0 109.664 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.95 -41.51 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.494 ' HG2' ' HZ3' ' A' ' 34' ' ' LYS . 37.6 mtt -63.0 -25.82 68.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -60.36 -40.78 91.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 110.629 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 50.4 mp0 -70.39 -39.78 74.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -72.09 -23.63 61.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.045 -1.034 . . . . 0.0 110.162 -178.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.58 -30.24 18.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.587 -1.321 . . . . 0.0 109.257 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -83.59 -25.59 30.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.551 -0.718 . . . . 0.0 109.464 -179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' OD1' ' OE2' ' A' ' 63' ' ' GLU . 7.0 m120 -139.66 37.74 2.02 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.98 -29.16 13.82 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -79.02 -5.04 52.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.409 -1.053 . . . . 0.0 109.38 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.86 -160.64 9.54 Favored Glycine 0 N--CA 1.475 1.261 0 N-CA-C 108.669 -1.773 . . . . 0.0 108.669 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.44 159.99 41.38 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.605 -0.938 . . . . 0.0 110.132 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG13 ' HG2' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -129.07 149.35 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 27.5 t0 -120.95 -161.8 0.92 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.418 -0.801 . . . . 0.0 109.994 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -60.06 -48.42 81.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.355 -0.84 . . . . 0.0 111.745 -177.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.777 ' OE1' ' HB ' ' B' ' 83' ' ' VAL . 62.1 tt0 -70.01 -29.15 66.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 109.49 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 27.1 mt-10 -77.36 -39.78 46.24 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.371 -0.831 . . . . 0.0 109.458 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -69.94 -35.0 74.17 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.493 -0.754 . . . . 0.0 109.116 179.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' B' ' 79' ' ' ALA . 46.2 t -73.39 -40.6 56.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.648 -0.657 . . . . 0.0 110.873 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.6 t -71.58 -40.07 70.78 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.523 -0.736 . . . . 0.0 110.254 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.0 tt -70.7 -40.18 73.01 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.71 -0.619 . . . . 0.0 110.7 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 74' ' ' PHE . 73.6 t -72.05 -40.05 66.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.642 -0.662 . . . . 0.0 110.054 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.79 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.21 -38.11 89.87 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.832 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 41' ' ' LEU . 7.3 tt -60.58 -40.15 90.67 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.893 -1.13 . . . . 0.0 109.789 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -60.01 -39.83 87.16 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.062 -1.023 . . . . 0.0 109.388 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.832 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.3 p -53.8 -33.39 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 108.869 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -67.43 -21.61 65.56 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.559 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 32.2 t -139.69 57.98 1.62 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 p30 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 120.65 -1.281 . . . . 0.0 108.922 -179.34 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 56.3 mp0 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.123 0.487 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -78.53 -51.64 9.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 110.659 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.274 -0.891 . . . . 0.0 109.428 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.09 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.902 . . . . 0.0 109.74 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.936 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -39.86 89.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.97 -39.48 85.83 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.275 -0.891 . . . . 0.0 109.472 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.75 -37.51 79.17 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.412 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 76.8 mt -58.67 -36.18 73.75 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.081 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.94 -40.14 82.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.838 -1.164 . . . . 0.0 108.817 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -70.03 -28.4 65.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.171 -0.955 . . . . 0.0 110.735 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.13 -49.31 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.789 -1.194 . . . . 0.0 110.503 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' B' ' 11' ' ' LEU . 10.1 m-85 -68.9 -27.3 65.65 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.408 -0.808 . . . . 0.0 109.112 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.11 -38.91 84.42 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.39 -58.08 4.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.118 -0.989 . . . . 0.0 112.367 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -101.89 -0.17 34.44 Favored 'General case' 0 N--CA 1.514 2.765 0 O-C-N 120.7 -1.25 . . . . 0.0 112.201 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.404 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.5 m -139.08 12.87 2.63 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.688 -1.258 . . . . 0.0 109.892 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.598 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 37.0 p90 -54.17 165.74 0.47 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 43.3 tptt -50.77 -91.44 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.539 -1.351 . . . . 0.0 109.637 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 176.09 -176.3 0.12 Allowed 'General case' 0 N--CA 1.514 2.726 0 O-C-N 120.876 -1.14 . . . . 0.0 110.657 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -49.07 144.83 4.54 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.727 -1.233 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.6 ' HG2' HG13 ' B' ' 69' ' ' VAL . 12.7 mtmm -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.402 -0.811 . . . . 0.0 112.219 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.9 -41.94 99.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.361 -1.462 . . . . 0.0 110.296 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.77 -31.45 68.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.072 -1.018 . . . . 0.0 109.391 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.724 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.1 tm? -59.79 -43.95 94.16 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.967 -1.083 . . . . 0.0 109.377 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.477 ' HZ3' ' HG2' ' B' ' 58' ' ' MET . 3.9 tmtp? -66.15 -53.07 42.16 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.725 -1.234 . . . . 0.0 112.164 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.89 -39.06 84.07 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 120.577 -1.327 . . . . 0.0 110.083 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.76 -56.3 16.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.547 -0.72 . . . . 0.0 112.2 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.688 HD22 ' HG ' ' A' ' 4' ' ' LEU . 90.2 mt -75.58 -36.2 60.42 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.297 -1.502 . . . . 0.0 112.419 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -53.17 -32.74 49.36 Favored 'General case' 0 C--N 1.284 -2.25 0 O-C-N 121.052 -1.03 . . . . 0.0 108.325 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 71.9 m -73.58 -41.15 63.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.488 -0.758 . . . . 0.0 108.992 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 4' ' ' LEU . 32.5 tp10 -70.1 -38.67 75.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 108.896 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.424 HD13 HD22 ' B' ' 81' ' ' LEU . 70.3 mt -87.2 34.05 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.824 . . . . 0.0 110.765 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 36.8 t -58.65 -30.64 67.47 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 47.2 m-85 -69.74 -34.42 73.82 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.85 -1.57 5.77 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' B' ' 44' ' ' PHE . 58.7 t0 -59.84 -42.59 93.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 108.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 m -150.79 87.47 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.0 109.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -68.97 117.92 11.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 108.857 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' B' ' 84' ' ' ALA . 67.6 mmtt -80.09 -70.01 0.55 Allowed 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -98.25 87.56 3.94 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 122.062 0.934 . . . . 0.0 108.518 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.0 -19.21 64.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -68.57 -39.72 80.88 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.45 77.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.037 -1.039 . . . . 0.0 108.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.578 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.38 -35.55 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.461 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -61.01 -40.05 92.09 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.433 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 4.1 mptp? -67.78 -39.7 84.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.791 -1.193 . . . . 0.0 109.672 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.02 -41.41 86.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.477 ' HG2' ' HZ3' ' B' ' 34' ' ' LYS . 37.4 mtt -63.26 -25.59 68.39 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.23 -0.918 . . . . 0.0 109.376 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -60.74 -40.27 91.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.289 -0.882 . . . . 0.0 110.652 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 50.8 mp0 -70.69 -39.62 73.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.764 -1.21 . . . . 0.0 111.003 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.49 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 0.4 OUTLIER -72.21 -23.64 61.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.077 -1.015 . . . . 0.0 110.05 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.54 -30.33 18.29 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.576 -1.327 . . . . 0.0 109.271 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -83.44 -25.75 30.95 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.441 -0.787 . . . . 0.0 109.426 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.451 ' OD1' ' OE2' ' B' ' 63' ' ' GLU . 7.2 m120 -139.65 37.91 2.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -29.83 15.08 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -78.15 -5.32 51.32 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.407 -1.054 . . . . 0.0 109.463 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.92 -160.33 9.36 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -143.6 159.85 41.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.662 -0.905 . . . . 0.0 110.134 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.6 HG13 ' HG2' ' B' ' 30' ' ' LYS . 0.6 OUTLIER -128.88 149.48 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 27.8 t0 -121.06 -161.91 0.93 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.441 -0.787 . . . . 0.0 109.962 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -60.0 -48.33 82.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.358 -0.839 . . . . 0.0 111.853 -177.318 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.798 ' OE1' ' HB ' ' A' ' 83' ' ' VAL . 60.4 tt0 -70.02 -28.99 65.93 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.674 -1.266 . . . . 0.0 109.386 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.479 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 26.9 mt-10 -77.56 -39.72 44.88 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.293 -0.879 . . . . 0.0 109.443 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.408 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -69.99 -35.09 74.14 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.506 -0.746 . . . . 0.0 109.113 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.79 HG11 ' HB2' ' A' ' 79' ' ' ALA . 48.9 t -73.24 -40.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 CA-C-O 121.427 0.632 . . . . 0.0 110.763 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.1 t -71.6 -40.01 70.51 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.488 -0.758 . . . . 0.0 110.387 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.483 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.8 tt -70.63 -39.94 73.39 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.597 -0.689 . . . . 0.0 110.699 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 74' ' ' PHE . 73.9 t -72.37 -40.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.606 -0.684 . . . . 0.0 109.915 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.769 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -63.16 -37.97 89.31 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.829 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.424 HD22 HD13 ' B' ' 41' ' ' LEU . 7.3 tt -61.14 -39.95 92.01 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.889 -1.132 . . . . 0.0 109.872 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.7 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.006 -1.059 . . . . 0.0 109.373 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.829 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -53.47 -33.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.224 -0.923 . . . . 0.0 108.803 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.614 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -67.26 -21.48 65.72 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 32.7 t -140.1 57.95 1.6 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 p30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 120.67 -1.269 . . . . 0.0 108.818 -179.461 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 38.7 mp0 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.75 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 31.3 mt -69.19 -39.99 78.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.568 -0.708 . . . . 0.0 109.439 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 88.7 tt0 -65.15 -39.97 93.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.75 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 110.0 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.01 -44.63 94.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.213 -0.929 . . . . 0.0 110.167 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.4 mmm -59.99 -38.88 83.87 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.156 -0.965 . . . . 0.0 109.976 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.462 -1.399 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -63.08 -37.94 89.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.425 -0.797 . . . . 0.0 108.961 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 7' ' ' ALA . 8.7 mp -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.429 -0.794 . . . . 0.0 109.332 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.15 -45.04 96.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.021 -1.049 . . . . 0.0 109.793 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.25 -45.7 92.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 112.005 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.65 -38.49 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.707 -1.246 . . . . 0.0 110.539 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.02 -39.62 82.47 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 20' ' ' GLY . 38.4 t-80 -60.01 -33.93 72.66 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.76 -0.588 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.96 -54.84 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.942 -1.099 . . . . 0.0 110.437 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -74.39 -40.37 62.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.722 -1.236 . . . . 0.0 110.397 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -80.05 -19.06 48.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.183 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.268 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 4.0 m-85 -50.0 164.21 0.12 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 27.4 tptt -49.89 -89.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.704 -1.247 . . . . 0.0 108.78 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -179.8 -178.12 0.43 Allowed 'General case' 0 N--CA 1.512 2.641 0 O-C-N 120.877 -1.139 . . . . 0.0 111.738 178.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -53.25 148.86 7.89 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.426 -0.796 . . . . 0.0 111.181 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -60.09 -39.8 87.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.763 -0.586 . . . . 0.0 111.505 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.03 -42.56 94.63 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.983 -1.698 . . . . 0.0 108.566 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.661 HD11 HD11 ' A' ' 37' ' ' LEU . 2.7 tm? -48.61 -48.91 38.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.648 -0.658 . . . . 0.0 109.638 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -53.56 53.27 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.515 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -50.1 -29.94 10.0 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.355 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' A' ' 28' ' ' LEU . 85.8 mt -76.08 -58.12 3.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 111.862 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -60.04 -51.54 69.18 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.505 -1.372 . . . . 0.0 110.713 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -57.81 -20.22 34.21 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.252 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.66 -34.9 16.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.442 -0.786 . . . . 0.0 110.825 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.886 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 9.7 pt-20 -81.57 -10.04 59.54 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.806 -1.184 . . . . 0.0 109.456 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.9 mt -108.13 45.32 1.02 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 8.3 t -45.35 -36.15 4.01 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.736 -1.228 . . . . 0.0 109.972 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 28.6 t -70.82 -14.41 62.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.99 -1.069 . . . . 0.0 109.88 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -58.94 -45.73 89.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.269 -1.52 . . . . 0.0 108.577 -179.452 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -65.47 -8.92 21.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.822 -1.174 . . . . 0.0 108.43 179.2 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 43' ' ' SER . 49.4 t0 -60.11 -40.06 88.38 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.228 -0.92 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.2 p -164.26 75.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 111.634 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.85 122.57 19.51 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.635 -1.291 . . . . 0.0 108.256 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 84' ' ' ALA . 29.1 mtpt -107.46 -46.03 3.94 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.576 -0.702 . . . . 0.0 111.222 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.07 100.06 10.87 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.87 -1.144 . . . . 0.0 110.521 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -18.47 55.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.73 -0.606 . . . . 0.0 109.915 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.02 -39.85 75.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.434 -0.792 . . . . 0.0 109.588 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.24 63.0 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.988 -1.07 . . . . 0.0 108.333 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 84' ' ' ALA . 84.6 t -56.49 -39.0 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 48.3 t0 -60.1 -39.99 88.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -39.91 86.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.928 -1.108 . . . . 0.0 109.001 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 80' ' ' ALA . 74.4 mt -59.97 -42.55 89.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.017 -1.052 . . . . 0.0 109.228 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mmt -63.8 -24.24 67.68 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.722 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.99 -39.92 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 0.0 110.816 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -72.75 -39.72 66.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.688 -1.257 . . . . 0.0 110.728 -178.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.31 -22.29 48.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.556 -1.34 . . . . 0.0 110.031 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.36 -36.17 22.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.918 . . . . 0.0 108.866 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -26.66 51.25 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.01 60.69 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.73 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -34.51 83.86 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.46 -0.98 35.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -1.147 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.99 -146.6 0.18 Allowed Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.4 159.54 39.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.27 -1.135 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 28' ' ' LEU . 2.5 m -133.11 154.39 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 32.4 t0 -118.08 -164.15 0.99 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.325 -0.859 . . . . 0.0 109.659 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -59.99 -47.15 87.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.818 . . . . 0.0 111.129 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.577 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.2 tm0? -69.77 -32.91 71.67 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.179 -0.95 . . . . 0.0 109.649 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.507 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 79.0 mm-40 -69.97 -40.02 75.62 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 108.737 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.706 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.0 t80 -67.12 -33.69 76.0 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.845 0.831 . . . . 0.0 109.305 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.4 t -74.18 -40.01 50.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.045 -1.034 . . . . 0.0 111.207 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.68 -45.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 O-C-N 121.638 -0.664 . . . . 0.0 110.916 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.14 -35.41 74.03 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 74' ' ' PHE . 99.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.06 82.04 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HB3' HD11 ' A' ' 57' ' ' ILE . . . -65.16 -33.12 75.26 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.662 0.744 . . . . 0.0 109.2 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -67.59 -42.1 83.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.766 -1.209 . . . . 0.0 108.361 179.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 5.3 m -62.31 -36.41 82.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.806 -1.183 . . . . 0.0 109.263 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 t -50.08 -31.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -60.98 -40.15 92.35 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' THR . 19.7 p -128.45 47.47 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.434 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 38.9 mp0 . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.795 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 28.4 mt -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.423 -0.798 . . . . 0.0 109.429 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.886 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 88.6 tt0 -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.79 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.33 -0.856 . . . . 0.0 109.918 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.435 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -59.9 -44.64 94.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 110.228 -179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -60.08 -38.81 84.01 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.086 -1.009 . . . . 0.0 109.876 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.511 -1.368 . . . . 0.0 108.633 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.15 -37.96 89.28 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 7' ' ' ALA . 8.7 mp -60.01 -39.97 87.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.77 . . . . 0.0 109.356 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.25 -45.03 96.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.04 -1.037 . . . . 0.0 109.805 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.1 -45.9 91.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.275 -0.891 . . . . 0.0 111.953 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.43 -38.61 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.74 -1.225 . . . . 0.0 110.563 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.09 -39.59 82.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' B' ' 20' ' ' GLY . 38.3 t-80 -59.97 -34.13 72.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.811 -0.556 . . . . 0.0 109.859 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.9 -54.94 40.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.966 -1.084 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.3 -40.06 62.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.599 -1.313 . . . . 0.0 110.433 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 m -80.28 -19.1 47.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 110.788 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.156 0 C-N-CA 119.686 -1.245 . . . . 0.0 110.243 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 4.0 m-85 -49.87 164.12 0.11 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.53 ' NZ ' ' CE2' ' B' ' 74' ' ' PHE . 27.8 tptt -49.82 -89.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.624 -1.298 . . . . 0.0 108.738 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -179.73 -178.23 0.44 Allowed 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.879 -1.138 . . . . 0.0 111.704 178.719 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -53.05 148.96 7.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.366 -0.834 . . . . 0.0 111.276 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.06 -39.81 87.32 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.71 -0.619 . . . . 0.0 111.511 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.1 -42.51 94.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.055 -1.653 . . . . 0.0 108.555 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.26 -39.96 74.66 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.645 HD11 HD11 ' B' ' 37' ' ' LEU . 2.6 tm? -48.76 -48.67 40.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.705 -0.622 . . . . 0.0 109.733 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -53.38 55.55 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.496 -1.281 . . . . 0.0 110.471 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -50.09 -29.95 10.01 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 118.764 -1.175 . . . . 0.0 110.465 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' B' ' 28' ' ' LEU . 87.9 mt -76.27 -58.0 3.54 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.177 -0.952 . . . . 0.0 111.884 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.65 HD13 HG22 ' B' ' 78' ' ' VAL . 0.3 OUTLIER -59.99 -51.54 69.24 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.512 -1.368 . . . . 0.0 110.77 -178.463 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -57.88 -20.08 34.19 Favored 'General case' 0 C--N 1.28 -2.438 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.379 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.73 -34.75 16.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 0.0 110.755 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.871 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 9.7 pt-20 -81.73 -10.04 59.48 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.849 -1.157 . . . . 0.0 109.342 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 42' ' ' SER . 87.8 mt -108.13 45.31 1.03 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 8.3 t -45.41 -36.27 4.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.751 -1.218 . . . . 0.0 109.913 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 23.8 t -70.55 -14.48 62.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.984 -1.072 . . . . 0.0 109.872 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER -58.87 -45.9 89.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.318 -1.488 . . . . 0.0 108.631 -179.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.5 OUTLIER -65.36 -9.01 21.16 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.797 -1.189 . . . . 0.0 108.435 179.204 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' B' ' 43' ' ' SER . 49.1 t0 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.552 ' O ' HG13 ' B' ' 47' ' ' VAL . 7.1 p -164.46 76.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.934 -1.104 . . . . 0.0 111.563 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.83 122.66 19.68 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 120.675 -1.265 . . . . 0.0 108.144 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' B' ' 84' ' ' ALA . 29.5 mtpt -107.59 -45.99 3.92 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.656 -0.652 . . . . 0.0 111.126 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.04 100.01 10.83 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.855 -1.153 . . . . 0.0 110.549 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.39 55.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.638 -0.663 . . . . 0.0 109.96 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.04 -40.03 75.37 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.448 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -50.42 62.66 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 108.331 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' B' ' 84' ' ' ALA . 81.6 t -56.4 -39.0 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' B' ' 55' ' ' ASP . 47.9 t0 -60.13 -40.07 88.46 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -40.0 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.866 -1.146 . . . . 0.0 109.013 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' B' ' 80' ' ' ALA . 74.2 mt -59.99 -42.57 90.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.061 -1.024 . . . . 0.0 109.257 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.7 -24.35 67.74 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.36 -0.837 . . . . 0.0 109.739 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.94 -40.04 83.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 110.776 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 0.9 OUTLIER -72.68 -39.85 66.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.625 -1.297 . . . . 0.0 110.78 -178.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' B' ' 61' ' ' LEU . 2.7 mt -78.32 -22.28 48.36 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.601 -1.312 . . . . 0.0 110.026 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -84.37 -36.09 22.71 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.219 -0.925 . . . . 0.0 108.833 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -26.41 51.12 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.31 60.87 0.7 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.416 -0.803 . . . . 0.0 109.707 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.93 -34.97 85.41 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.1 -1.08 34.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -1.063 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.04 -146.75 0.19 Allowed Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -155.19 159.47 40.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 0.0 110.609 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 28' ' ' LEU . 2.2 m -133.02 154.37 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 32.9 t0 -118.04 -164.05 0.99 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.341 -0.849 . . . . 0.0 109.664 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.0 p90 -60.12 -46.9 88.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.422 -0.799 . . . . 0.0 111.137 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.2 tm0? -70.02 -32.72 71.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.173 -0.954 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 79.5 mm-40 -70.06 -39.97 75.37 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.708 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.9 t80 -67.31 -33.79 76.0 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.854 0.835 . . . . 0.0 109.295 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 71' ' ' PHE . 54.6 t -73.99 -40.05 51.76 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.12 -0.988 . . . . 0.0 111.162 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.03 -44.87 74.92 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.562 -0.711 . . . . 0.0 111.002 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.39 -35.16 73.31 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.459 -0.775 . . . . 0.0 110.14 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 74' ' ' PHE . 98.6 t -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.95 . . . . 0.0 109.758 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.32 82.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.468 ' HB3' HD11 ' B' ' 57' ' ' ILE . . . -64.83 -33.25 75.56 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.621 0.724 . . . . 0.0 109.14 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -67.53 -42.19 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.753 -1.217 . . . . 0.0 108.44 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.406 ' O ' ' N ' ' B' ' 85' ' ' CYS . 5.1 m -62.27 -36.48 82.19 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.81 -1.181 . . . . 0.0 109.261 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 t -49.98 -32.17 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.67 -40.44 92.09 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.994 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' B' ' 82' ' ' THR . 20.4 p -128.2 47.37 2.43 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.684 ' N ' HD22 ' B' ' 86' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 120.995 0.426 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.96 -43.79 70.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.063 -1.023 . . . . 0.0 112.607 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -60.71 -37.01 80.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.416 -1.428 . . . . 0.0 109.672 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.93 -38.57 82.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.907 . . . . 0.0 108.968 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.65 76.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.827 . . . . 0.0 109.965 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -60.02 -40.89 90.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.008 -1.057 . . . . 0.0 110.607 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.772 -1.205 . . . . 0.0 109.994 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -63.57 -40.12 96.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.0 111.526 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.47 -40.11 90.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.921 -1.112 . . . . 0.0 110.35 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.84 -42.24 95.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.122 -0.986 . . . . 0.0 109.923 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -62.54 -43.03 99.83 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.274 -0.891 . . . . 0.0 111.833 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 t -69.93 -38.28 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.741 -1.224 . . . . 0.0 110.92 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.3 m-30 -55.39 -39.01 69.64 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.4 t-80 -59.63 -29.42 68.0 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.11 -56.47 21.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.823 -1.173 . . . . 0.0 110.095 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.4 -40.01 58.38 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.776 -1.203 . . . . 0.0 110.388 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 71.6 m -101.76 19.99 17.13 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.159 -0.963 . . . . 0.0 111.374 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.305 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.518 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m-85 -52.73 168.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.687 ' HB3' HG23 ' A' ' 69' ' ' VAL . 35.4 tptt -52.41 -93.39 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.445 -1.409 . . . . 0.0 109.247 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -179.96 -177.65 0.39 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.104 -1.623 . . . . 0.0 111.022 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p -46.63 146.86 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.831 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HB3' HD23 ' A' ' 61' ' ' LEU . 42.1 mtpt -60.05 -43.14 95.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.407 -0.808 . . . . 0.0 110.729 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.09 -40.96 91.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.731 -1.23 . . . . 0.0 111.561 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -81.72 -25.95 35.01 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.949 -1.094 . . . . 0.0 109.872 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -62.55 -44.46 96.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.537 -1.352 . . . . 0.0 109.373 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.988 ' N ' HD13 ' A' ' 33' ' ' LEU . 9.7 tttm -81.45 -31.91 32.84 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.478 -1.388 . . . . 0.0 111.101 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -65.35 -40.05 93.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.661 -1.275 . . . . 0.0 108.995 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.49 -55.28 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.489 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.617 HD21 ' CE2' ' A' ' 74' ' ' PHE . 7.4 mp -70.0 -22.92 63.08 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.653 -1.279 . . . . 0.0 109.271 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -60.0 -31.59 70.06 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -71.42 -43.06 67.45 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.331 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.1 -22.33 55.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.917 -1.114 . . . . 0.0 108.776 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -96.44 18.79 13.25 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 45' ' ' LEU . 58.2 m -60.03 -39.55 86.29 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.594 0.711 . . . . 0.0 109.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -80.1 -23.77 41.02 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.305 -0.872 . . . . 0.0 109.191 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 46' ' ' ASP . 8.1 m-85 -69.63 -58.67 3.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.328 -0.858 . . . . 0.0 109.771 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -67.38 11.14 0.13 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.751 -1.218 . . . . 0.0 108.902 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 44' ' ' PHE . 39.8 t0 -59.12 -39.32 81.95 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.486 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 10.5 m -125.8 55.59 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' VAL . 26.8 mt-30 -40.04 110.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 122.001 0.905 . . . . 0.0 110.619 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -79.96 -64.55 1.16 Allowed 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -98.5 99.23 10.37 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.129 -0.982 . . . . 0.0 108.598 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.6 -19.27 58.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.49 -0.756 . . . . 0.0 109.989 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -39.97 75.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.407 -0.808 . . . . 0.0 109.33 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.78 46.82 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 109.084 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.2 t -58.3 -38.28 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.93 87.51 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.239 0.542 . . . . 0.0 109.573 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -62.71 -39.99 95.76 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 109.25 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.406 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.7 mp -61.75 -43.04 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.56 -0.712 . . . . 0.0 109.996 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.99 -29.0 69.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.003 -1.06 . . . . 0.0 109.491 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -65.26 -40.0 93.4 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 110.49 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.57 -40.93 66.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.473 -1.392 . . . . 0.0 110.177 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 34' ' ' LYS . 14.4 mt -70.22 -26.48 63.88 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.49 -0.756 . . . . 0.0 110.977 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.65 -34.72 13.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.795 -1.191 . . . . 0.0 110.607 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -65.87 -37.73 86.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.79 56.26 1.14 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -57.71 -16.44 23.38 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 8.5 t0 -82.42 -7.85 59.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -1.047 . . . . 0.0 110.222 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.66 -145.65 0.07 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -156.23 159.94 39.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -1.118 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.723 HG21 ' HG ' ' A' ' 33' ' ' LEU . 15.2 m -135.49 151.57 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 28.2 t0 -129.08 -154.15 0.62 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.276 -0.89 . . . . 0.0 109.281 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 6.7 p90 -59.78 -47.46 85.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.505 -0.747 . . . . 0.0 111.356 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.1 tm0? -70.7 -32.01 69.07 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.581 -1.324 . . . . 0.0 110.242 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.8 mt-10 -83.54 -32.79 25.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.992 -1.067 . . . . 0.0 108.685 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.617 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.2 t80 -69.9 -39.24 76.34 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.04 0.924 . . . . 0.0 109.036 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' B' ' 79' ' ' ALA . 42.2 t -77.78 -44.53 28.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 O-C-N 121.62 -0.675 . . . . 0.0 111.527 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.601 HG13 HG13 ' B' ' 76' ' ' VAL . 61.4 t -71.47 -40.94 72.85 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 O-C-N 121.125 -0.984 . . . . 0.0 110.748 -177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.26 -39.99 71.24 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.334 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.3 t -71.62 -39.38 69.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.468 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.713 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -60.21 -39.99 88.55 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.188 0.994 . . . . 0.0 108.669 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 81' ' ' LEU . 2.9 tt -61.51 -35.95 79.16 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.855 -1.153 . . . . 0.0 108.066 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ASN . 8.9 m -58.47 -31.0 67.41 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.344 -0.847 . . . . 0.0 109.104 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' B' ' 72' ' ' GLN . 55.6 t -59.98 -41.38 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.06 -1.025 . . . . 0.0 108.815 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.534 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.0 m -120.88 36.56 4.55 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 82' ' ' THR . 63.6 t30 . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.032 0.444 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.85 -43.95 70.86 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.11 -0.994 . . . . 0.0 112.565 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.8 -37.02 80.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.377 -1.452 . . . . 0.0 109.69 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -59.98 -38.5 82.72 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.263 -0.898 . . . . 0.0 108.945 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.73 -37.85 77.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -60.1 -41.1 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.947 -1.095 . . . . 0.0 110.411 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.86 -42.1 98.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.797 -1.19 . . . . 0.0 110.028 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.334 -0.854 . . . . 0.0 111.474 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.58 -39.91 89.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.827 -1.171 . . . . 0.0 110.46 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.05 -42.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.09 -1.006 . . . . 0.0 109.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.47 -42.83 99.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 111.923 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.93 -38.37 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.796 -1.19 . . . . 0.0 111.043 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.416 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.4 m-30 -55.32 -39.04 69.47 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.6 t-80 -59.8 -29.26 68.1 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.77 17.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.8 -1.187 . . . . 0.0 110.194 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.19 -39.95 59.76 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.904 -1.123 . . . . 0.0 110.444 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.3 m -101.8 20.03 17.11 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.112 -0.993 . . . . 0.0 111.324 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.167 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.552 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 3.3 m-85 -52.71 168.66 0.11 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.686 ' HB3' HG23 ' B' ' 69' ' ' VAL . 35.7 tptt -52.25 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.534 -1.354 . . . . 0.0 109.132 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.506 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -179.95 -177.41 0.38 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.174 -1.579 . . . . 0.0 111.019 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -46.63 146.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.147 -0.971 . . . . 0.0 109.807 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.463 ' HB3' HD23 ' B' ' 61' ' ' LEU . 42.4 mtpt -59.92 -43.37 94.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.445 -0.784 . . . . 0.0 110.705 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -41.09 91.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.785 -1.197 . . . . 0.0 111.483 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -81.9 -25.88 34.61 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.958 -1.089 . . . . 0.0 109.831 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.989 HD13 ' N ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -62.45 -44.4 96.5 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.543 -1.348 . . . . 0.0 109.429 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.989 ' N ' HD13 ' B' ' 33' ' ' LEU . 9.3 tttm -81.54 -31.85 32.52 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.39 -1.444 . . . . 0.0 111.055 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -65.35 -39.99 93.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.833 -1.167 . . . . 0.0 109.076 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.56 -55.38 13.66 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.451 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.636 HD21 ' CE2' ' B' ' 74' ' ' PHE . 7.3 mp -69.88 -23.21 63.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.778 -1.201 . . . . 0.0 109.343 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 26.2 tp60 -59.99 -31.19 69.69 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.9 m -71.76 -42.66 66.93 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.775 -0.578 . . . . 0.0 110.481 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -76.45 -22.01 55.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.805 -1.184 . . . . 0.0 108.694 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -97.04 19.53 12.7 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.42 ' O ' HD23 ' B' ' 45' ' ' LEU . 61.3 m -60.03 -39.9 87.46 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.704 0.764 . . . . 0.0 109.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -79.71 -24.13 41.88 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.281 -0.887 . . . . 0.0 109.164 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.534 ' C ' ' H ' ' B' ' 46' ' ' ASP . 8.5 m-85 -69.55 -58.69 3.64 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.746 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 42' ' ' SER . 1.3 pt? -67.01 10.56 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.811 -1.181 . . . . 0.0 108.865 179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 44' ' ' PHE . 39.8 t0 -58.91 -39.3 81.11 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.473 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 11.4 m -125.8 55.49 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' B' ' 47' ' ' VAL . 27.2 mt-30 -40.06 110.84 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.048 0.928 . . . . 0.0 110.515 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -79.88 -64.51 1.17 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.73 99.35 10.45 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.086 -1.009 . . . . 0.0 108.583 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.13 57.8 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.508 -0.745 . . . . 0.0 109.949 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.97 -39.95 75.68 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.37 -52.4 47.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 109.046 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.436 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.2 t -58.17 -38.45 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.0 87.3 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.251 0.548 . . . . 0.0 109.635 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.45 -40.09 95.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.35 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.414 HD11 ' HB1' ' B' ' 80' ' ' ALA . 1.7 mp -61.77 -43.05 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.025 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmt -61.14 -28.91 69.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.013 -1.054 . . . . 0.0 109.643 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -65.17 -40.16 93.93 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 110.334 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.27 -41.11 67.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.599 -1.313 . . . . 0.0 110.394 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 15.2 mt -70.0 -26.82 64.25 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.417 -0.802 . . . . 0.0 111.145 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.64 -34.3 13.34 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.913 -1.117 . . . . 0.0 110.641 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -66.15 -37.59 86.05 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.92 56.09 1.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -57.74 -16.26 22.73 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 8.5 t0 -82.49 -8.04 59.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.503 -0.998 . . . . 0.0 110.239 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -145.6 0.07 OUTLIER Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.12 160.02 39.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -1.186 . . . . 0.0 110.312 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.722 HG21 ' HG ' ' B' ' 33' ' ' LEU . 15.3 m -135.64 151.52 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 28.8 t0 -129.13 -154.38 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.275 -0.891 . . . . 0.0 109.344 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.637 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 6.5 p90 -59.45 -47.43 85.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 0.0 111.441 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.637 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.1 tm0? -70.62 -32.23 69.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.639 -1.288 . . . . 0.0 110.321 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.9 mt-10 -83.37 -32.99 25.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.158 -0.964 . . . . 0.0 108.718 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.636 ' CE2' HD21 ' B' ' 37' ' ' LEU . 15.8 t80 -69.99 -39.2 76.05 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.983 0.896 . . . . 0.0 108.984 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.713 HG11 ' HB2' ' A' ' 79' ' ' ALA . 42.1 t -78.03 -44.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 O-C-N 121.633 -0.667 . . . . 0.0 111.543 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.601 HG13 HG13 ' A' ' 76' ' ' VAL . 72.1 t -71.33 -41.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 O-C-N 121.047 -1.033 . . . . 0.0 110.743 -177.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 5.6 tp -71.37 -39.81 70.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.38 -0.825 . . . . 0.0 110.381 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 74' ' ' PHE . 59.7 t -71.56 -39.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.344 -0.848 . . . . 0.0 109.2 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.698 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -60.67 -38.59 85.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' HB1' HD11 ' B' ' 57' ' ' ILE . . . -60.0 -40.05 87.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 122.192 0.996 . . . . 0.0 108.693 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 81' ' ' LEU . 3.0 tt -61.64 -36.19 80.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.866 -1.146 . . . . 0.0 108.134 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 86' ' ' ASN . 9.0 m -58.1 -31.14 66.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.238 -0.914 . . . . 0.0 109.099 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 72' ' ' GLN . 49.7 t -59.98 -41.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.115 -0.99 . . . . 0.0 108.79 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -71.66 -27.08 62.82 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.366 -0.833 . . . . 0.0 109.516 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 m -120.92 36.66 4.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 82' ' ' THR . 64.0 t30 . . . . . 0 C--N 1.301 -1.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.756 ' HB3' HG13 ' B' ' 14' ' ' VAL . 98.5 mt-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 120.528 0.204 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' ' OE2' ' B' ' 40' ' ' GLU . 87.0 mt -71.95 -39.29 69.49 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.731 -1.231 . . . . 0.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.558 ' OE1' HD23 ' B' ' 41' ' ' LEU . 55.3 tp10 -60.02 -40.46 89.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.095 -1.003 . . . . 0.0 109.318 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.5 m -61.09 -40.0 92.05 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.06 89.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.359 -0.838 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.3 -41.33 93.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.834 -1.166 . . . . 0.0 110.563 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.46 -39.97 94.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.067 -1.021 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.7 m -65.83 -39.99 91.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 110.792 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.17 -40.05 88.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 110.575 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.051 -1.031 . . . . 0.0 110.079 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.84 -40.4 92.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.82 HG13 ' HB3' ' B' ' 3' ' ' GLU . 28.3 t -72.53 -39.43 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.473 -1.392 . . . . 0.0 111.117 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.5 m-30 -55.16 -37.0 66.43 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 20' ' ' GLY . 76.7 t60 -59.91 -30.53 69.1 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' CB ' ' OE1' ' B' ' 3' ' ' GLU . . . -58.66 -55.52 34.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.021 -1.05 . . . . 0.0 110.331 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' ND1' HD21 ' A' ' 36' ' ' LEU . 97.2 m-70 -74.68 -39.19 62.15 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.756 -1.215 . . . . 0.0 110.872 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.2 m -97.03 13.17 29.97 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.861 -1.149 . . . . 0.0 110.665 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.304 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.604 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -49.68 170.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.323 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.708 ' HB3' HG23 ' A' ' 69' ' ' VAL . 35.1 tptt -58.53 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.427 -1.309 . . . . 0.0 108.814 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.66 -177.44 0.12 Allowed 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.905 -1.122 . . . . 0.0 111.214 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -50.99 149.68 3.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.988 -1.07 . . . . 0.0 109.852 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 32.4 mtmm -62.62 -48.78 77.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.092 -1.005 . . . . 0.0 112.315 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -52.93 -47.13 68.26 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 119.706 -1.871 . . . . 0.0 111.24 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.26 -39.84 86.17 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 121.066 -1.021 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.711 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -53.63 -44.5 69.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.415 -0.803 . . . . 0.0 110.401 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 33' ' ' LEU . 2.4 ttmm -60.01 -45.45 92.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 119.832 -1.792 . . . . 0.0 109.438 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.12 -22.13 65.57 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.959 -1.088 . . . . 0.0 109.076 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD21 ' ND1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -73.62 -54.93 7.0 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.684 0.755 . . . . 0.0 111.078 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.79 HD13 HG22 ' A' ' 78' ' ' VAL . 7.2 mt -68.13 -48.7 64.69 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.036 -1.04 . . . . 0.0 112.936 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' NE2' ' HZ2' ' A' ' 34' ' ' LYS . 52.7 mt-30 -62.74 -23.17 67.05 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-O 122.513 1.149 . . . . 0.0 108.238 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.65 -41.92 52.83 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.447 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.81 ' OE2' ' N ' ' B' ' 4' ' ' LEU . 49.1 tt0 -94.01 -1.71 54.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.636 -0.665 . . . . 0.0 109.691 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD23 ' OE1' ' B' ' 5' ' ' GLU . 68.3 mt -119.55 36.02 4.64 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.7 m -59.96 -40.13 87.98 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 111.274 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 38.5 t -62.31 -35.07 77.9 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.037 -1.039 . . . . 0.0 108.949 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.3 m-85 -60.21 -40.01 88.62 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.377 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.73 -8.8 11.43 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 43' ' ' SER . 89.6 m-20 -50.41 -30.53 12.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 109.182 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.6 p -159.67 98.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.179 -0.951 . . . . 0.0 110.284 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -70.4 112.95 7.07 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.993 -1.067 . . . . 0.0 109.865 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.8 -70.02 0.56 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.509 -0.744 . . . . 0.0 109.698 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.01 101.58 12.71 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 122.46 1.124 . . . . 0.0 110.425 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.77 -17.36 61.59 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.393 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.85 75.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.563 -0.711 . . . . 0.0 109.713 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -51.44 55.92 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.148 -0.97 . . . . 0.0 109.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -59.87 -37.06 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.94 -39.96 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.698 -0.626 . . . . 0.0 110.538 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.19 -39.76 86.42 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.956 -1.09 . . . . 0.0 109.517 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 80' ' ' ALA . 82.9 mt -59.93 -41.62 86.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 109.317 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.445 ' HE1' ' HZ2' ' A' ' 34' ' ' LYS . 9.1 mmt -60.96 -31.96 71.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 109.107 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.2 -40.04 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.098 -1.001 . . . . 0.0 111.249 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.09 -39.56 86.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.495 -1.378 . . . . 0.0 109.631 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -59.9 -39.34 85.05 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.88 -0.512 . . . . 0.0 111.007 -178.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -86.83 -34.65 19.44 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.062 -1.024 . . . . 0.0 111.585 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -30.16 64.6 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.185 -0.947 . . . . 0.0 110.035 -178.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.511 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 45.1 t-20 -148.93 45.48 1.0 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.323 -0.861 . . . . 0.0 108.978 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.46 -30.7 12.91 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -79.67 -9.09 59.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.489 -1.006 . . . . 0.0 110.399 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . -64.29 -149.85 0.05 OUTLIER Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -158.31 159.98 36.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -1.072 . . . . 0.0 110.718 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 27' ' ' LYS . 3.3 m -130.6 151.16 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.555 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 6.5 m-20 -122.63 -158.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.426 -0.796 . . . . 0.0 109.555 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 40.9 p90 -60.13 -52.08 66.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.461 -0.774 . . . . 0.0 112.155 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 3.3 tm0? -70.07 -30.02 67.17 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.915 -1.115 . . . . 0.0 109.318 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.555 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 26.4 mt-10 -76.01 -36.81 59.0 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.739 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.737 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.446 -0.784 . . . . 0.0 109.055 179.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.31 -41.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.198 -0.939 . . . . 0.0 110.722 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.43 -41.35 78.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.423 HD21 ' CG2' ' A' ' 57' ' ' ILE . 7.6 tt -71.31 -39.42 71.45 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.679 -0.638 . . . . 0.0 110.188 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.79 HG22 HD13 ' A' ' 37' ' ' LEU . 94.2 t -68.95 -40.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.002 -1.061 . . . . 0.0 108.495 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.79 -39.86 90.47 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 81' ' ' LEU . 2.3 tt -64.39 -36.31 83.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.249 . . . . 0.0 108.517 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' ASN . 3.3 m -58.04 -35.09 70.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 108.965 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -41.18 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.394 -0.817 . . . . 0.0 108.903 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.97 -20.97 63.28 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.615 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 54.3 m -134.01 45.72 2.6 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' THR . 12.3 p30 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.149 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.82 ' HB3' HG13 ' A' ' 14' ' ' VAL . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.727 0.299 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.81 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 89.8 mt -72.1 -39.09 69.18 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.694 -1.254 . . . . 0.0 109.903 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.563 ' OE1' HD23 ' A' ' 41' ' ' LEU . 55.3 tp10 -59.95 -40.9 90.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.87 -40.05 91.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.108 -0.995 . . . . 0.0 109.588 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.12 88.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.804 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.53 -41.29 94.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.878 -1.139 . . . . 0.0 110.468 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 110.452 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -65.61 -40.18 92.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.312 -0.868 . . . . 0.0 110.51 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.01 -40.14 88.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.005 -1.059 . . . . 0.0 110.659 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -42.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 120.894 -1.129 . . . . 0.0 110.122 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -60.83 -41.02 94.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 111.319 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.756 HG13 ' HB3' ' A' ' 3' ' ' GLU . 33.8 t -72.33 -39.36 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.639 -1.288 . . . . 0.0 111.271 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.09 -37.18 66.5 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 74.8 t60 -59.59 -30.8 68.92 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' OE1' ' A' ' 3' ' ' GLU . . . -58.5 -55.5 34.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.123 -0.986 . . . . 0.0 110.444 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.537 ' ND1' HD21 ' B' ' 36' ' ' LEU . 96.9 m-70 -75.04 -38.9 61.29 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.735 -1.228 . . . . 0.0 110.812 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m -96.82 12.56 31.68 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.935 -1.103 . . . . 0.0 110.668 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.272 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.889 -179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.538 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -49.67 170.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' B' ' 69' ' ' VAL . 34.7 tptt -58.4 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.408 -1.317 . . . . 0.0 108.795 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 175.03 -177.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.883 -1.136 . . . . 0.0 111.228 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -51.19 149.53 3.81 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.973 -1.08 . . . . 0.0 109.948 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 31.7 mtmm -62.23 -49.11 77.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.091 -1.006 . . . . 0.0 112.306 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -52.68 -46.91 67.44 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 119.736 -1.853 . . . . 0.0 111.268 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.98 -39.04 83.38 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.06 -1.025 . . . . 0.0 109.341 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.711 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.4 tm? -54.23 -44.27 71.56 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.443 -0.786 . . . . 0.0 110.339 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.469 ' HZ2' ' NE2' ' B' ' 38' ' ' GLN . 2.3 ttmm -60.03 -45.66 92.07 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.0 -1.688 . . . . 0.0 109.414 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.15 -22.13 65.62 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.951 -1.093 . . . . 0.0 108.957 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.537 HD21 ' ND1' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -73.43 -54.71 7.63 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.654 0.74 . . . . 0.0 111.218 -178.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.78 HD13 HG22 ' B' ' 78' ' ' VAL . 7.5 mt -68.43 -48.74 63.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.052 -1.03 . . . . 0.0 112.785 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.469 ' NE2' ' HZ2' ' B' ' 34' ' ' LYS . 50.6 mt-30 -62.7 -23.11 66.98 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.526 1.155 . . . . 0.0 108.23 -177.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.76 -41.49 52.97 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.509 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.793 ' OE2' ' N ' ' A' ' 4' ' ' LEU . 46.2 tt0 -93.88 -2.52 53.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.547 -0.721 . . . . 0.0 109.606 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.558 HD23 ' OE1' ' A' ' 5' ' ' GLU . 69.6 mt -119.22 36.43 4.47 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -60.08 -39.98 87.99 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.446 -0.784 . . . . 0.0 111.223 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 47.0 t -62.99 -34.45 77.58 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 108.951 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.441 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.1 m-85 -60.69 -39.98 90.49 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.17 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -9.31 11.05 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' B' ' 43' ' ' SER . 89.5 m-20 -50.09 -30.37 10.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.001 -1.062 . . . . 0.0 109.33 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.615 ' O ' HG13 ' B' ' 47' ' ' VAL . 7.3 p -159.96 98.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.09 -1.006 . . . . 0.0 110.356 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -70.38 113.01 7.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.064 -1.023 . . . . 0.0 109.799 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.646 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.2 mmmp? -81.01 -69.97 0.57 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.52 -0.738 . . . . 0.0 109.623 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -100.03 101.66 12.79 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.55 1.167 . . . . 0.0 110.4 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -17.56 61.55 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.507 -0.745 . . . . 0.0 109.312 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.93 -40.04 75.75 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.568 -0.708 . . . . 0.0 109.676 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -51.3 57.62 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.188 -0.945 . . . . 0.0 109.202 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.0 OUTLIER -60.03 -36.97 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.694 -0.629 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.44 -39.42 85.39 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.975 -1.078 . . . . 0.0 109.416 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.497 HD11 ' CB ' ' B' ' 80' ' ' ALA . 83.0 mt -59.95 -41.78 87.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.601 -0.687 . . . . 0.0 109.481 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.2 mmt -61.01 -32.05 71.65 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.059 -1.026 . . . . 0.0 109.135 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.199 -0.938 . . . . 0.0 111.282 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.12 -39.64 86.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.57 -1.331 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' B' ' 30' ' ' LYS . 0.8 OUTLIER -59.96 -39.27 85.04 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.82 -0.55 . . . . 0.0 111.071 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.98 -34.54 19.24 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.053 . . . . 0.0 111.531 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -30.3 64.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.19 -0.944 . . . . 0.0 110.035 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.481 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 45.5 t-20 -148.76 45.5 1.02 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 108.915 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -30.4 13.19 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -79.84 -9.01 59.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.496 -1.002 . . . . 0.0 110.414 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . -64.41 -149.53 0.05 OUTLIER Glycine 0 N--CA 1.481 1.696 0 N-CA-C 109.139 -1.585 . . . . 0.0 109.139 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -158.41 160.02 36.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.401 -1.058 . . . . 0.0 110.711 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.683 HG23 ' HB3' ' B' ' 27' ' ' LYS . 2.9 m -130.44 151.36 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 7.9 m-20 -122.82 -158.41 0.79 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.522 -0.736 . . . . 0.0 109.643 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 40.4 p90 -60.46 -51.99 67.11 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.415 -0.803 . . . . 0.0 112.11 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 3.1 tm0? -69.97 -30.03 67.29 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.026 -1.046 . . . . 0.0 109.36 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.557 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 24.7 mt-10 -76.62 -36.55 57.38 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.399 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.74 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.7 OUTLIER -69.97 -34.56 73.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.41 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.6 t -74.2 -41.39 51.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.166 -0.959 . . . . 0.0 110.62 -178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.8 t -70.39 -41.64 78.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.161 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.443 HD21 ' CG2' ' B' ' 57' ' ' ILE . 7.5 tt -71.04 -39.45 72.27 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.734 -0.604 . . . . 0.0 110.305 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.78 HG22 HD13 ' B' ' 37' ' ' LEU . 92.9 t -69.03 -39.9 80.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.584 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.82 90.76 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.497 ' CB ' HD11 ' B' ' 57' ' ' ILE . . . -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.55 ' O ' HD23 ' B' ' 81' ' ' LEU . 2.4 tt -64.63 -36.88 85.68 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.705 -1.247 . . . . 0.0 108.49 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.45 ' O ' ' N ' ' B' ' 86' ' ' ASN . 3.1 m -57.5 -35.05 69.72 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 109.114 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.1 -41.25 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.339 -0.851 . . . . 0.0 108.712 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.96 -21.06 63.29 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.606 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 52.3 m -133.8 45.68 2.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 82' ' ' THR . 12.1 p30 . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.11 -0.994 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 57.8 mp0 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 120.618 0.246 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' B' ' 14' ' ' VAL . 64.6 mt -77.03 -40.82 45.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.534 -1.354 . . . . 0.0 110.526 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.507 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 88.7 tt0 -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.948 -1.095 . . . . 0.0 110.039 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -40.02 88.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.234 -0.916 . . . . 0.0 110.406 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.557 ' CB ' HD21 ' B' ' 11' ' ' LEU . . . -68.38 -40.31 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.347 -0.845 . . . . 0.0 111.263 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 tpt -61.01 -41.35 96.38 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.939 -1.1 . . . . 0.0 110.522 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.24 -40.02 96.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.091 -1.006 . . . . 0.0 109.955 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.5 m -63.43 -40.08 96.19 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.369 -0.832 . . . . 0.0 110.281 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD21 ' CB ' ' B' ' 7' ' ' ALA . 94.3 mt -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.06 -1.025 . . . . 0.0 110.742 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.19 -43.94 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.04 -40.31 88.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.313 -0.867 . . . . 0.0 110.898 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' B' ' 4' ' ' LEU . 61.0 t -66.5 -39.4 83.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 120.707 -1.246 . . . . 0.0 110.418 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 5.4 m-30 -50.84 -38.37 48.58 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.732 -1.23 . . . . 0.0 107.699 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 74.2 t60 -60.01 -35.68 75.59 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.73 -58.58 7.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.091 . . . . 0.0 110.549 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.56 -40.05 64.23 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.545 -1.347 . . . . 0.0 110.756 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 51.0 m -84.56 -6.56 59.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.017 -1.052 . . . . 0.0 111.205 -178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' TYR . 4.4 mptp? . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.0 m-85 -48.74 170.3 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HB3' HG23 ' A' ' 69' ' ' VAL . 47.5 tptt -50.55 -94.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.229 -1.389 . . . . 0.0 109.493 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' O ' HG22 ' A' ' 69' ' ' VAL . 1.4 pp 179.39 -178.8 0.38 Allowed 'General case' 0 N--CA 1.514 2.756 0 O-C-N 120.64 -1.287 . . . . 0.0 111.956 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -43.91 155.1 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.32 -0.862 . . . . 0.0 111.847 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.763 ' O ' HD23 ' A' ' 61' ' ' LEU . 2.3 mmmm -66.72 -54.1 26.55 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.26 -43.96 95.71 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 119.59 -1.944 . . . . 0.0 111.975 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -69.8 -31.57 69.56 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.738 -1.227 . . . . 0.0 108.757 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.726 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.9 tm? -59.97 -44.1 94.67 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.948 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.979 ' NZ ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -65.28 -55.54 17.78 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.75 -1.219 . . . . 0.0 111.734 -178.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.83 -27.63 52.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.34 -1.475 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -52.82 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 111.831 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.728 HD23 HG22 ' A' ' 78' ' ' VAL . 6.0 mp -69.21 -45.36 70.06 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.615 -1.303 . . . . 0.0 112.693 -176.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.83 -26.69 67.51 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.542 -1.348 . . . . 0.0 107.618 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.01 -39.97 54.61 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.075 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' HG2' ' HB2' ' B' ' 5' ' ' GLU . 81.0 tt0 -79.3 -5.83 55.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.7 49.77 1.01 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -54.14 -37.84 64.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 0.0 110.091 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 36.0 t -56.88 -17.93 11.25 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CD2' ' SG ' ' A' ' 85' ' ' CYS . 30.7 t80 -60.05 -40.05 88.11 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.95 -14.13 62.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.563 ' O ' HG13 ' A' ' 47' ' ' VAL . 9.3 t70 -59.97 -45.89 91.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.408 -0.807 . . . . 0.0 109.891 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 46' ' ' ASP . 2.1 m -158.38 97.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.963 -1.086 . . . . 0.0 110.93 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 8.4 mp0 -70.07 119.86 14.91 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.686 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.3 mmmm -91.44 -79.92 0.36 Allowed 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.9 -0.5 . . . . 0.0 110.524 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.56 98.95 9.2 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.907 -1.12 . . . . 0.0 109.887 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.8 -18.87 61.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.461 -0.774 . . . . 0.0 110.021 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -39.97 75.35 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.607 -0.683 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -50.77 65.43 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -59.56 -38.23 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.057 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -58.87 -39.99 83.02 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.139 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.4 -39.98 89.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.884 -1.135 . . . . 0.0 109.98 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.727 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.3 mp -60.03 -43.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 120.934 -1.104 . . . . 0.0 108.574 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mpt? -58.89 -24.7 62.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.624 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 10.0 mtpm? -66.69 -39.97 88.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.706 -1.246 . . . . 0.0 110.347 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 64' ' ' ASN . 96.4 mt-10 -67.3 -39.9 85.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.523 -1.36 . . . . 0.0 111.992 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.979 HD13 ' NZ ' ' A' ' 34' ' ' LYS . 3.0 mp -75.0 -33.12 61.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.469 -1.395 . . . . 0.0 109.934 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.0 -38.01 75.87 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.601 -1.312 . . . . 0.0 108.405 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 11.5 mm-40 -61.23 -39.99 92.35 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.655 0.741 . . . . 0.0 109.434 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 51.6 p30 -148.25 61.56 1.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -50.0 -29.99 15.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.046 -1.621 . . . . 0.0 109.046 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -79.94 2.11 24.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.738 -0.86 . . . . 0.0 109.688 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.94 -149.41 0.27 Allowed Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -160.21 160.41 32.73 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.165 -1.197 . . . . 0.0 110.926 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.701 HG21 ' HG ' ' A' ' 33' ' ' LEU . 7.0 m -129.26 155.25 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 10.9 m-20 -128.12 -160.0 0.99 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.221 -0.925 . . . . 0.0 109.605 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.856 ' CZ ' ' ND2' ' B' ' 86' ' ' ASN . 43.0 p90 -60.04 -51.48 69.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.603 -0.686 . . . . 0.0 111.514 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.72 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.34 -27.76 64.61 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.733 -1.23 . . . . 0.0 109.574 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 39.7 tt0 -81.92 -34.69 29.78 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.352 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.5 t80 -69.93 -38.87 76.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.975 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.25 -43.41 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.229 -0.92 . . . . 0.0 110.848 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 HG13 ' B' ' 76' ' ' VAL . 57.2 t -68.62 -40.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.421 -0.799 . . . . 0.0 109.988 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.4 tp -69.58 -40.04 76.98 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.38 -0.825 . . . . 0.0 109.167 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 74' ' ' PHE . 75.9 t -61.71 -42.25 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.558 -0.714 . . . . 0.0 109.73 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' B' ' 72' ' ' GLN . . . -64.23 -34.77 78.87 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.727 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -60.02 -40.36 89.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.492 0.663 . . . . 0.0 109.475 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.22 -39.96 86.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.524 -1.36 . . . . 0.0 107.871 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.593 ' O ' ' N ' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -54.87 -31.17 59.46 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.0 -41.52 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.686 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.55 -20.97 61.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.152 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.621 ' SG ' ' CD2' ' A' ' 44' ' ' PHE . 1.5 m -130.04 30.96 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.878 ' ND2' ' CZ ' ' B' ' 71' ' ' PHE . 22.5 t-20 . . . . . 0 N--CA 1.499 1.985 0 O-C-N 121.098 -1.001 . . . . 0.0 109.88 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 120.638 0.256 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 63.7 mt -76.66 -41.0 47.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.603 -1.311 . . . . 0.0 110.647 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.495 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 88.6 tt0 -62.02 -41.7 98.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.972 -1.08 . . . . 0.0 110.075 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -60.16 -39.97 88.25 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.266 -0.897 . . . . 0.0 110.41 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.573 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -68.54 -39.99 80.89 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 0.0 111.3 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.21 -41.62 97.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.954 -1.092 . . . . 0.0 110.427 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.96 -39.92 96.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.211 -0.93 . . . . 0.0 110.082 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -63.56 -39.98 95.81 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -0.867 . . . . 0.0 110.355 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 11' ' ' LEU . 93.8 mt -59.93 -40.1 87.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.94 -1.1 . . . . 0.0 110.749 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.31 -43.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.732 -1.23 . . . . 0.0 109.819 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.01 -40.47 89.36 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.346 -0.846 . . . . 0.0 110.891 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 4' ' ' LEU . 56.7 t -66.61 -39.42 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.697 -1.252 . . . . 0.0 110.33 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 5.4 m-30 -50.71 -38.24 46.13 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 107.735 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 20' ' ' GLY . 73.3 t60 -60.09 -35.53 75.41 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -58.79 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.954 -1.091 . . . . 0.0 110.4 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.66 -39.87 64.13 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.521 -1.362 . . . . 0.0 110.711 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 49.5 m -84.38 -6.84 59.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.071 -1.018 . . . . 0.0 111.229 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 26' ' ' TYR . 4.4 mptp? . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.502 ' O ' ' O ' ' B' ' 27' ' ' LYS . 59.7 m-85 -48.72 170.38 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.703 ' HB3' HG23 ' B' ' 69' ' ' VAL . 45.4 tptt -50.86 -94.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.431 -1.418 . . . . 0.0 109.329 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.678 ' O ' HG22 ' B' ' 69' ' ' VAL . 1.3 pp 179.48 -178.76 0.38 Allowed 'General case' 0 N--CA 1.513 2.711 0 O-C-N 120.686 -1.259 . . . . 0.0 112.06 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -44.0 155.2 0.09 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.29 -0.881 . . . . 0.0 111.912 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.745 ' O ' HD23 ' B' ' 61' ' ' LEU . 2.1 mmmm -66.85 -54.15 25.27 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -60.05 -44.15 94.89 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 119.536 -1.978 . . . . 0.0 111.942 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -69.65 -31.53 69.66 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.75 -1.219 . . . . 0.0 108.782 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.9 tm? -59.94 -44.12 94.57 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.076 -1.015 . . . . 0.0 108.992 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 1.103 ' HZ1' HD13 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -65.46 -55.32 18.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.784 -1.197 . . . . 0.0 111.836 -178.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.66 -27.93 52.63 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 120.43 -1.419 . . . . 0.0 110.204 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -74.4 -52.94 10.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.51 -0.743 . . . . 0.0 111.917 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.714 HD23 HG22 ' B' ' 78' ' ' VAL . 6.1 mp -69.16 -45.28 70.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.624 -1.298 . . . . 0.0 112.728 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.0 -26.47 67.62 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.505 -1.372 . . . . 0.0 107.61 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.2 -40.02 53.29 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 5' ' ' GLU . 80.9 tt0 -79.22 -5.92 55.43 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -114.34 49.46 1.01 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.0 m -53.96 -38.26 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.455 -0.778 . . . . 0.0 110.025 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 36.6 t -56.57 -17.92 10.14 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.617 ' CD2' ' SG ' ' B' ' 85' ' ' CYS . 30.0 t80 -59.95 -40.07 87.73 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.32 -13.84 62.56 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 47' ' ' VAL . 9.3 t70 -60.02 -46.28 90.0 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.424 -0.797 . . . . 0.0 109.9 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.507 HG13 ' O ' ' B' ' 46' ' ' ASP . 1.8 m -157.49 97.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.022 -1.049 . . . . 0.0 110.895 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.464 ' CD ' ' H ' ' B' ' 48' ' ' GLN . 8.5 mp0 -70.09 119.78 14.8 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.233 -0.917 . . . . 0.0 108.937 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.684 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -91.62 -80.01 0.36 Allowed 'General case' 0 C--N 1.288 -2.067 0 O-C-N 121.774 -0.579 . . . . 0.0 110.495 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -101.33 98.93 9.24 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.895 -1.128 . . . . 0.0 109.954 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -18.91 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.012 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 -39.94 75.47 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.613 -0.679 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.01 64.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -0.833 . . . . 0.0 109.282 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -59.41 -37.93 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.06 -40.04 83.93 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.098 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -66.52 -40.01 88.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.707 HD11 ' HB1' ' B' ' 80' ' ' ALA . 1.4 mp -59.95 -43.27 91.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.009 -1.057 . . . . 0.0 108.482 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 1.2 mpt? -58.72 -24.57 61.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.428 -0.795 . . . . 0.0 109.648 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' B' ' 63' ' ' GLU . 9.9 mtpm? -67.05 -39.6 86.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.702 -1.248 . . . . 0.0 110.374 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 64' ' ' ASN . 96.2 mt-10 -67.64 -39.94 84.59 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.564 -1.335 . . . . 0.0 111.81 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 1.103 HD13 ' HZ1' ' B' ' 34' ' ' LYS . 3.0 mp -74.79 -33.26 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.416 . . . . 0.0 109.828 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -37.89 75.78 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.474 -1.391 . . . . 0.0 108.421 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 59' ' ' LYS . 11.7 mm-40 -61.44 -39.99 92.83 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.588 0.708 . . . . 0.0 109.357 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 60' ' ' GLU . 50.9 p30 -148.12 61.62 1.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.88 -29.89 14.44 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -80.03 1.9 25.84 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.585 -0.95 . . . . 0.0 109.837 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -149.48 0.26 Allowed Glycine 0 N--CA 1.484 1.876 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -160.07 160.41 33.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.229 -1.159 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' B' ' 27' ' ' LYS . 7.3 m -129.11 155.39 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.51 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.7 m-20 -128.51 -159.99 0.99 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.198 -0.939 . . . . 0.0 109.501 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.878 ' CZ ' ' ND2' ' A' ' 86' ' ' ASN . 42.8 p90 -59.95 -51.42 69.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 0.0 111.487 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.713 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.64 -27.51 64.11 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.738 -1.226 . . . . 0.0 109.548 -178.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.51 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 37.5 tt0 -82.09 -34.56 29.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.129 -1.029 . . . . 0.0 108.358 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.754 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.4 t80 -69.99 -38.83 76.12 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.167 -0.958 . . . . 0.0 108.949 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 79' ' ' ALA . 55.9 t -74.81 -44.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.3 -0.875 . . . . 0.0 111.021 -178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.64 HG13 HG13 ' A' ' 76' ' ' VAL . 53.7 t -68.5 -39.92 81.34 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.523 -0.735 . . . . 0.0 110.138 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 3.5 tp -69.66 -40.0 76.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.385 -0.822 . . . . 0.0 109.098 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.754 HG23 ' O ' ' B' ' 74' ' ' PHE . 75.1 t -61.4 -42.48 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 109.643 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 72' ' ' GLN . . . -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' B' ' 57' ' ' ILE . . . -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.514 0.674 . . . . 0.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.18 -40.01 86.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.463 -1.398 . . . . 0.0 107.93 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.587 ' O ' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -54.56 -31.1 56.0 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -41.58 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.684 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.39 -20.81 61.38 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.237 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' B' ' 44' ' ' PHE . 1.4 m -130.28 30.65 4.73 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.856 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 23.3 t-20 . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.11 -0.993 . . . . 0.0 110.008 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 57.5 mp0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.287 0.565 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HG ' HG11 ' B' ' 14' ' ' VAL . 31.4 mt -70.06 -41.6 73.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.904 . . . . 0.0 111.15 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.69 -41.1 98.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.813 -1.179 . . . . 0.0 109.873 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.88 -39.94 96.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 110.982 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.06 -46.93 87.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.966 -1.084 . . . . 0.0 110.293 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.98 -35.93 76.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.283 -0.886 . . . . 0.0 110.162 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.518 -1.364 . . . . 0.0 108.084 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -62.58 -39.98 95.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 7' ' ' ALA . 9.6 mp -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.651 -0.656 . . . . 0.0 110.035 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.37 -40.23 87.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.745 -1.222 . . . . 0.0 110.309 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.88 -40.13 91.31 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.032 -1.042 . . . . 0.0 111.624 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.607 HG11 ' HG ' ' B' ' 4' ' ' LEU . 21.5 t -69.92 -38.28 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.81 -1.181 . . . . 0.0 110.138 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.49 -39.99 68.07 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -65.39 -23.45 66.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.632 -0.668 . . . . 0.0 109.248 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -58.93 -55.21 38.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.952 -1.092 . . . . 0.0 109.879 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -74.18 -40.08 62.77 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.719 -1.238 . . . . 0.0 110.471 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.6 m -82.83 -7.51 59.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.072 -1.018 . . . . 0.0 110.157 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.41 0 O-C-N 121.182 -0.949 . . . . 0.0 111.462 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' LYS . 62.3 m-85 -49.7 168.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 108.446 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HB3' HG23 ' A' ' 69' ' ' VAL . 17.0 tptp -51.6 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.739 -1.226 . . . . 0.0 109.64 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -179.33 -176.81 0.42 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.596 -1.315 . . . . 0.0 110.811 179.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -52.13 148.9 5.73 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 110.866 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG2' HG13 ' A' ' 69' ' ' VAL . 17.8 mtpp -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.629 -0.67 . . . . 0.0 111.338 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.56 -52.45 61.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.593 -1.317 . . . . 0.0 111.031 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -39.96 94.62 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.055 . . . . 0.0 108.574 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.37 -45.05 55.03 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.382 -0.824 . . . . 0.0 109.463 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.57 ' N ' HD13 ' A' ' 33' ' ' LEU . 2.8 tmtt? -60.02 -49.02 79.3 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.328 -1.482 . . . . 0.0 110.718 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.12 -28.6 66.69 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.55 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.8 tp -70.53 -54.87 10.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 111.153 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD13 HG22 ' A' ' 78' ' ' VAL . 4.4 mt -59.98 -51.14 70.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.648 -1.283 . . . . 0.0 110.342 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -58.72 -20.76 51.81 Favored 'General case' 0 C--N 1.277 -2.556 0 O-C-N 120.88 -1.137 . . . . 0.0 109.777 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.46 -31.98 32.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.209 -0.932 . . . . 0.0 109.828 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -87.84 -39.08 15.13 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.335 -0.853 . . . . 0.0 108.774 179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.4 mm? -90.4 33.62 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.04 -40.08 88.15 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.246 -0.909 . . . . 0.0 110.695 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 32.4 t -64.2 -29.88 70.97 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.013 -1.054 . . . . 0.0 108.93 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 33.3 m-85 -60.01 -41.52 92.32 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 117.606 -1.638 . . . . 0.0 107.713 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.9 mp -58.74 -2.33 0.22 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.978 -1.076 . . . . 0.0 108.779 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 44' ' ' PHE . 84.6 m-20 -59.95 -39.96 87.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.91 -1.119 . . . . 0.0 108.966 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.194 -0.941 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -62.91 123.47 18.58 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.148 0.975 . . . . 0.0 109.573 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -104.67 -47.73 3.98 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.704 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -97.07 86.55 3.99 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.182 -0.949 . . . . 0.0 109.526 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.51 -18.97 58.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.51 -39.94 73.82 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.7 -0.625 . . . . 0.0 109.419 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -50.84 58.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.257 -0.902 . . . . 0.0 108.93 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' CG2' ' HB2' ' A' ' 84' ' ' ALA . 72.3 t -59.44 -39.38 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.407 -0.808 . . . . 0.0 108.934 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.01 -39.96 87.59 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.249 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.17 -39.99 93.67 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.854 0.835 . . . . 0.0 109.026 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.65 ' O ' HD12 ' A' ' 61' ' ' LEU . 83.1 mt -60.06 -50.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.803 -0.56 . . . . 0.0 110.373 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -23.91 57.74 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.553 -0.717 . . . . 0.0 110.198 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.03 -39.98 83.01 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.327 -0.858 . . . . 0.0 109.675 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.21 -48.46 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.075 -1.015 . . . . 0.0 111.339 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -73.45 -23.63 60.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.034 -1.041 . . . . 0.0 109.664 -179.163 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.42 -33.31 60.94 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.168 -0.958 . . . . 0.0 108.7 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.7 -40.0 90.6 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.742 0.782 . . . . 0.0 108.931 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 66' ' ' ASP . 37.6 p-10 -159.7 64.07 0.37 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -46.3 -16.18 0.16 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ASN . 95.5 m-20 -86.62 0.02 55.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.458 -1.024 . . . . 0.0 109.668 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -63.34 -145.23 0.02 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -155.72 154.26 31.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.7 HG21 ' HG ' ' A' ' 33' ' ' LEU . 6.4 m -134.98 154.21 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.24 0.95 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.215 -0.928 . . . . 0.0 109.939 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.2 p90 -60.03 -48.42 81.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.707 -0.621 . . . . 0.0 111.668 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.706 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -71.72 -29.15 64.23 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 120.379 -1.451 . . . . 0.0 109.279 -178.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' HG2' HG12 ' A' ' 69' ' ' VAL . 29.2 tp10 -82.17 -36.34 27.46 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.8 t80 -69.98 -38.95 76.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.805 . . . . 0.0 109.269 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.41 -41.34 56.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 121.352 -0.842 . . . . 0.0 110.584 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.5 t -69.97 -40.2 78.36 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 121.563 -0.711 . . . . 0.0 111.129 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.84 -35.82 64.85 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.364 -0.835 . . . . 0.0 109.785 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 74' ' ' PHE . 77.0 t -70.05 -40.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.325 -0.859 . . . . 0.0 108.889 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.03 85.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 64.5 tp -62.38 -39.99 94.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.08 -1.012 . . . . 0.0 109.005 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.484 HG23 ' CE2' ' A' ' 44' ' ' PHE . 7.2 m -54.01 -37.52 64.13 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.106 -0.997 . . . . 0.0 108.469 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.72 -27.44 37.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -59.97 -39.93 87.34 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.941 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -143.71 65.17 1.32 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.939 -1.101 . . . . 0.0 108.97 -177.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 N--CA 1.497 1.92 0 O-C-N 121.267 -0.895 . . . . 0.0 109.02 179.407 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.9 mp0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.32 0.581 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.607 ' HG ' HG11 ' A' ' 14' ' ' VAL . 32.3 mt -70.01 -41.58 74.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.201 -0.937 . . . . 0.0 111.082 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.63 -41.09 98.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.87 -1.144 . . . . 0.0 109.917 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -62.98 -40.01 96.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.805 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.414 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.03 -46.89 88.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.028 -1.045 . . . . 0.0 110.381 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.95 -36.07 76.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.34 -0.85 . . . . 0.0 110.227 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.697 -1.252 . . . . 0.0 108.003 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.56 -39.98 95.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 7' ' ' ALA . 9.7 mp -59.72 -40.07 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.531 -0.731 . . . . 0.0 110.04 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.18 -40.34 87.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.784 -1.198 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -65.72 -40.25 92.03 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 0.0 111.553 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.628 HG11 ' HG ' ' A' ' 4' ' ' LEU . 21.2 t -69.98 -38.09 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.728 -1.232 . . . . 0.0 110.266 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.59 -40.0 68.38 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.8 t-80 -65.41 -23.42 66.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -58.91 -55.36 36.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.984 -1.073 . . . . 0.0 109.947 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.99 -40.22 63.11 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.814 -1.178 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 64.0 m -82.75 -7.58 59.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.196 -0.94 . . . . 0.0 110.251 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.305 0 O-C-N 121.279 -0.888 . . . . 0.0 111.484 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 62.1 m-85 -49.56 168.54 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.662 ' HB3' HG23 ' B' ' 69' ' ' VAL . 17.1 tptp -51.73 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.709 -1.244 . . . . 0.0 109.567 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -179.29 -176.84 0.42 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.536 -1.352 . . . . 0.0 110.867 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -51.97 149.07 5.3 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.872 -1.143 . . . . 0.0 110.802 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.443 ' HG2' HG13 ' B' ' 69' ' ' VAL . 17.6 mtpp -60.2 -40.01 88.55 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.577 -0.702 . . . . 0.0 111.384 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -63.46 -52.37 61.71 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.656 -1.278 . . . . 0.0 111.042 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -40.0 94.69 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.993 -1.067 . . . . 0.0 108.498 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.741 HD13 ' C ' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -50.22 -45.1 53.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.561 ' N ' HD13 ' B' ' 33' ' ' LEU . 3.0 tmtt? -60.0 -49.31 78.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.313 -1.492 . . . . 0.0 110.687 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.89 -28.72 66.42 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 118.306 -1.357 . . . . 0.0 109.648 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.53 -54.8 10.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.111 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.518 HD13 HG22 ' B' ' 78' ' ' VAL . 4.6 mt -60.0 -51.06 71.26 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.698 -1.251 . . . . 0.0 110.284 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -58.7 -20.83 52.1 Favored 'General case' 0 C--N 1.278 -2.502 0 O-C-N 120.895 -1.128 . . . . 0.0 109.841 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.38 -32.1 33.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 109.826 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -38.59 15.44 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.329 -0.857 . . . . 0.0 108.806 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.426 HD22 ' O ' ' B' ' 37' ' ' LEU . 1.4 mm? -90.61 33.57 0.91 Allowed 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.03 -40.28 88.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.329 -0.857 . . . . 0.0 110.656 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 31.1 t -64.02 -29.99 71.1 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.006 -1.059 . . . . 0.0 109.085 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.532 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 33.3 m-85 -59.98 -41.3 91.71 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.488 -1.685 . . . . 0.0 107.671 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.476 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.9 mp -58.85 -2.24 0.22 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.008 -1.058 . . . . 0.0 108.866 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' B' ' 44' ' ' PHE . 84.9 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.001 -1.062 . . . . 0.0 108.926 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.141 -0.974 . . . . 0.0 109.728 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -63.19 123.46 18.69 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 122.128 0.966 . . . . 0.0 109.523 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -104.5 -47.92 3.96 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.685 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.0 86.47 3.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.21 -0.931 . . . . 0.0 109.576 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.41 -18.96 58.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.331 -0.856 . . . . 0.0 108.914 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.55 -40.05 73.61 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.699 -0.626 . . . . 0.0 109.314 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.17 -51.01 58.94 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.264 -0.897 . . . . 0.0 108.862 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' B' ' 84' ' ' ALA . 72.1 t -59.42 -39.33 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 119.743 -0.783 . . . . 0.0 108.896 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.99 -40.08 87.92 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.488 -0.757 . . . . 0.0 110.197 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -40.04 93.8 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.326 -0.858 . . . . 0.0 109.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.648 ' O ' HD12 ' B' ' 61' ' ' LEU . 82.6 mt -59.97 -50.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.725 -0.609 . . . . 0.0 110.513 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -23.77 58.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.08 -40.01 82.76 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.32 -0.863 . . . . 0.0 109.625 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.26 -48.34 76.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.156 -0.965 . . . . 0.0 111.302 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.648 HD12 ' O ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER -73.56 -23.83 60.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.026 -1.047 . . . . 0.0 109.616 -179.157 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.18 -33.55 61.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 0.0 108.785 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.769 0.795 . . . . 0.0 108.959 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' B' ' 66' ' ' ASP . 37.5 p-10 -159.72 64.17 0.37 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -46.24 -16.23 0.16 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.0 m-20 -86.84 0.09 55.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.465 -1.021 . . . . 0.0 109.648 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -63.34 -145.22 0.02 OUTLIER Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -155.72 154.33 31.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.323 -1.104 . . . . 0.0 110.085 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.701 HG21 ' HG ' ' B' ' 33' ' ' LEU . 6.5 m -134.99 154.11 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.23 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.146 -0.972 . . . . 0.0 109.919 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.7 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.1 p90 -60.02 -48.68 80.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.688 -0.633 . . . . 0.0 111.661 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.7 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -71.34 -29.31 64.84 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.273 -1.517 . . . . 0.0 109.443 -178.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.504 ' HG2' HG12 ' B' ' 69' ' ' VAL . 28.5 tp10 -82.05 -36.01 28.13 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.393 -0.817 . . . . 0.0 108.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 78' ' ' VAL . 7.4 t80 -69.99 -39.28 76.02 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.778 0.799 . . . . 0.0 109.218 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.19 -41.5 58.39 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 O-C-N 121.401 -0.812 . . . . 0.0 110.487 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.9 t -70.02 -40.08 78.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.68 -0.637 . . . . 0.0 111.088 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.77 -36.07 65.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.406 -0.809 . . . . 0.0 109.795 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 74' ' ' PHE . 76.6 t -69.88 -40.05 78.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 108.971 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.93 85.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.541 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 62.5 tp -62.52 -40.03 95.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 108.935 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.505 HG23 ' CE2' ' B' ' 44' ' ' PHE . 6.9 m -53.91 -37.49 63.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.968 -1.083 . . . . 0.0 108.527 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.541 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -59.78 -27.43 38.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.015 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.021 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 0.0 OUTLIER -143.75 65.05 1.32 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.021 -1.049 . . . . 0.0 108.93 -177.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 32.0 m120 . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.346 -0.846 . . . . 0.0 108.961 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.652 ' HB3' HG22 ' B' ' 14' ' ' VAL . 43.4 mt-10 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.877 ' CD1' ' CG1' ' B' ' 14' ' ' VAL . 6.2 mp -69.95 -41.54 74.42 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.994 -1.066 . . . . 0.0 110.82 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.66 -45.04 95.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.817 -1.177 . . . . 0.0 109.741 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.9 m -60.27 -39.9 88.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.568 -0.708 . . . . 0.0 109.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.19 88.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 110.461 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -42.82 95.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.938 -1.101 . . . . 0.0 110.361 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.9 -40.21 96.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.409 -0.807 . . . . 0.0 110.519 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 91.8 mt -59.65 -40.03 86.34 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.092 -1.005 . . . . 0.0 110.165 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.42 -46.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.94 -1.1 . . . . 0.0 110.807 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.023 -1.048 . . . . 0.0 110.284 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.833 ' CG1' ' CD1' ' B' ' 4' ' ' LEU . 75.4 t -64.07 -39.77 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.174 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 6.4 m-30 -57.12 -39.88 75.99 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.0 t60 -56.7 -29.31 62.27 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.42 69.74 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.011 -1.056 . . . . 0.0 110.167 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -78.71 -40.44 33.7 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.451 -1.405 . . . . 0.0 110.736 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 22.3 m -100.88 17.47 22.08 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.059 -1.026 . . . . 0.0 111.085 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.484 1.842 0 C-N-CA 118.673 -1.727 . . . . 0.0 109.537 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt . . . . . 0 N--CA 1.499 2.001 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.455 ' O ' ' OG ' ' A' ' 19' ' ' SER . 75.2 m-85 -49.99 171.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HB3' HG23 ' A' ' 69' ' ' VAL . 28.2 tptp -56.89 -80.97 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.092 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -171.77 161.01 5.82 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.075 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -50.09 148.3 3.47 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 45.4 mttm -53.29 -49.17 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.501 -1.374 . . . . 0.0 110.351 -178.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.38 -44.09 75.75 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.674 -1.266 . . . . 0.0 111.442 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -70.81 -40.1 72.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.817 -1.177 . . . . 0.0 109.71 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.732 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -54.51 -47.8 72.65 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.928 -0.483 . . . . 0.0 111.192 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG2' ' HZ2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.941 -1.724 . . . . 0.0 110.845 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.66 -27.63 67.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.619 -1.301 . . . . 0.0 109.51 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -59.91 2.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.639 -0.663 . . . . 0.0 111.41 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 37' ' ' LEU . 10.9 mp -78.0 -39.81 41.02 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.571 -1.331 . . . . 0.0 113.075 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -54.52 -32.43 58.1 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.359 -1.463 . . . . 0.0 108.075 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -74.43 -39.86 62.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -35.91 75.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.12 31.58 1.88 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.909 -1.12 . . . . 0.0 110.475 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 67.6 m -61.45 -32.89 72.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 108.911 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 46' ' ' ASP . 33.3 m-85 -59.84 -39.63 85.82 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.061 -1.456 . . . . 0.0 107.272 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 mt -57.39 -5.43 0.32 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' PHE . 65.0 m-20 -50.31 -34.91 25.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.02 -1.05 . . . . 0.0 108.893 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.1 p -140.02 100.58 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.244 -0.91 . . . . 0.0 110.451 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 10.2 pt20 -70.01 114.96 8.68 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.666 -1.272 . . . . 0.0 108.967 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 84' ' ' ALA . 35.9 mmtm -90.02 -79.76 0.33 Allowed 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.646 -0.659 . . . . 0.0 109.546 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -99.86 101.6 12.78 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 122.095 0.95 . . . . 0.0 110.14 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.05 -17.95 61.98 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -71.03 -39.99 71.98 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.691 -0.63 . . . . 0.0 109.32 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.4 -50.99 63.39 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.281 -0.887 . . . . 0.0 109.352 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.638 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -60.02 -36.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -60.22 -39.82 87.99 Favored 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.476 -0.765 . . . . 0.0 110.09 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.88 -40.0 83.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.901 -1.124 . . . . 0.0 109.076 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.499 HD11 ' CB ' ' A' ' 80' ' ' ALA . 96.7 mt -60.01 -40.08 82.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 109.554 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.55 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.53 -29.04 68.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.395 -0.815 . . . . 0.0 109.615 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.67 -39.48 88.54 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.979 -1.076 . . . . 0.0 109.892 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 65.4 mm-40 -68.12 -39.95 82.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.893 -1.129 . . . . 0.0 110.485 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.51 -30.32 68.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 111.617 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.1 t0 -92.44 -31.04 15.43 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.11 -0.994 . . . . 0.0 111.109 -177.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.513 ' CG ' HD22 ' A' ' 64' ' ' ASN . 18.5 pt-20 -70.22 -31.12 68.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.159 -0.963 . . . . 0.0 108.966 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.513 HD22 ' CG ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -159.45 53.34 0.38 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.477 -0.765 . . . . 0.0 109.178 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.72 -27.69 9.7 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -82.2 -3.14 54.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.426 -1.044 . . . . 0.0 110.204 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.96 -145.41 0.16 Allowed Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -157.61 155.18 29.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.123 -1.222 . . . . 0.0 111.289 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 27' ' ' LYS . 13.7 m -131.54 157.27 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 13.6 m-20 -124.96 -155.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 31.6 p90 -63.8 -45.51 89.36 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.39 -0.819 . . . . 0.0 112.373 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.65 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.2 tt0 -75.22 -32.29 61.12 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.387 -1.446 . . . . 0.0 109.553 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 71.9 mt-10 -78.5 -39.91 36.81 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.188 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -79.81 -31.87 40.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.63 -1.294 . . . . 0.0 108.535 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 71' ' ' PHE . 59.4 t -69.76 -39.92 78.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 C-N-CA 118.916 -1.114 . . . . 0.0 109.327 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.2 t -68.54 -40.13 81.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.413 -0.804 . . . . 0.0 109.844 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.59 -36.75 81.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.972 -1.08 . . . . 0.0 109.764 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.71 -40.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.324 -0.86 . . . . 0.0 109.628 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.77 87.07 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -62.48 -36.98 84.21 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.61 -39.99 95.52 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.77 -1.206 . . . . 0.0 109.546 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -60.48 -40.04 89.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.71 -37.26 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.638 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -70.02 -22.18 63.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.788 -0.57 . . . . 0.0 109.915 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.448 ' SG ' ' C ' ' A' ' 84' ' ' ALA . 3.5 m -149.47 65.56 1.01 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.416 ' H ' ' HG3' ' A' ' 49' ' ' LYS . 22.6 t-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.623 ' HB3' HG22 ' A' ' 14' ' ' VAL . 43.7 mt-10 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.865 0.364 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.833 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 6.2 mp -70.11 -41.46 73.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.938 -1.101 . . . . 0.0 110.526 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.1 -45.74 93.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.854 -1.154 . . . . 0.0 109.842 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.1 m -59.94 -40.11 87.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.18 87.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.555 -0.716 . . . . 0.0 110.419 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -43.14 95.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.024 -1.047 . . . . 0.0 110.278 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.64 -40.15 96.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.042 -1.037 . . . . 0.0 110.189 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -64.98 -39.89 94.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.488 -0.758 . . . . 0.0 110.68 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.8 mt -60.07 -39.67 86.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.143 -0.973 . . . . 0.0 110.129 -178.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -46.42 96.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 O-C-N 121.001 -1.062 . . . . 0.0 110.644 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -61.23 -40.14 92.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.997 -1.065 . . . . 0.0 110.168 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.877 ' CG1' ' CD1' ' A' ' 4' ' ' LEU . 64.8 t -63.64 -39.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.391 -0.818 . . . . 0.0 110.18 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 6.5 m-30 -57.01 -40.11 76.02 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 20' ' ' GLY . 72.8 t60 -56.64 -29.27 62.06 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.99 -51.5 69.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.987 -1.071 . . . . 0.0 110.155 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -78.52 -40.74 34.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.564 -1.335 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 19.9 m -100.95 17.86 21.17 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.484 1.864 0 C-N-CA 118.388 -1.863 . . . . 0.0 109.546 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' B' ' 19' ' ' SER . 73.4 m-85 -50.18 171.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.576 ' HB3' HG23 ' B' ' 69' ' ' VAL . 29.0 tptp -56.88 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.53 -1.356 . . . . 0.0 108.089 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.507 HD22 ' O ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -171.34 161.0 6.35 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.99 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -50.21 147.79 3.95 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 46.5 mttm -52.9 -49.25 66.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.311 -1.493 . . . . 0.0 110.522 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.19 -44.45 75.32 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.677 -1.264 . . . . 0.0 111.29 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.58 -39.91 73.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.87 -1.144 . . . . 0.0 109.758 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.748 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.2 tm? -54.46 -47.41 72.95 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.92 -0.487 . . . . 0.0 111.357 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' HG2' ' HZ2' ' B' ' 34' ' ' LYS . 0.6 OUTLIER -67.54 -40.09 85.02 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.036 -1.665 . . . . 0.0 110.652 -177.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.56 -27.7 67.17 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.657 -1.277 . . . . 0.0 109.455 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.04 -59.82 2.55 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 111.567 -178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.4 mp -78.45 -40.01 36.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.582 -1.323 . . . . 0.0 112.791 -177.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -53.8 -33.09 54.95 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 108.192 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -74.37 -40.0 62.38 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -35.47 76.87 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.84 31.43 2.1 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 m -60.11 -40.13 88.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.863 -1.148 . . . . 0.0 110.356 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.3 m -60.79 -33.24 72.68 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' B' ' 46' ' ' ASP . 33.8 m-85 -59.93 -39.63 86.18 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 118.236 -1.386 . . . . 0.0 107.38 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 mt -57.84 -5.23 0.38 Allowed 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 44' ' ' PHE . 64.2 m-20 -50.13 -34.9 23.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.972 -1.08 . . . . 0.0 108.846 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 47' ' ' VAL . 3.0 p -140.09 100.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.185 -0.947 . . . . 0.0 110.475 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 48' ' ' GLN . 10.1 pt20 -69.88 115.13 8.75 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.697 -1.252 . . . . 0.0 108.959 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 84' ' ' ALA . 35.4 mmtm -89.93 -79.95 0.33 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.574 -0.704 . . . . 0.0 109.486 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -99.62 101.52 12.75 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 122.156 0.979 . . . . 0.0 110.299 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.12 -17.85 61.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.347 -0.846 . . . . 0.0 108.991 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -71.29 -39.94 71.17 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.717 -0.614 . . . . 0.0 109.375 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.51 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.53 -51.0 63.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.41 -0.807 . . . . 0.0 109.214 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.665 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -37.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.84 -40.17 87.63 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.436 -0.79 . . . . 0.0 109.743 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.38 -39.95 85.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.937 -1.102 . . . . 0.0 109.374 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.487 HD11 ' CB ' ' B' ' 80' ' ' ALA . 95.6 mt -60.14 -40.15 82.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.384 -0.823 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.2 -29.64 68.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.625 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.1 -39.7 87.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.942 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 65.0 mm-40 -68.0 -39.98 83.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.999 -1.063 . . . . 0.0 110.594 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -69.34 -30.65 68.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.442 -178.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 49.4 t0 -92.18 -31.12 15.59 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.066 -1.021 . . . . 0.0 111.08 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.53 ' CG ' HD22 ' B' ' 64' ' ' ASN . 18.4 pt-20 -70.1 -31.36 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.136 -0.978 . . . . 0.0 109.082 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.53 HD22 ' CG ' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -158.99 53.71 0.41 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.563 -0.711 . . . . 0.0 109.117 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.97 -27.91 11.18 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -82.01 -2.9 53.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -1.036 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.46 -145.33 0.2 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -157.35 155.72 31.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.254 . . . . 0.0 111.487 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' B' ' 27' ' ' LYS . 13.9 m -132.02 157.1 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.53 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 12.4 m-20 -124.67 -154.94 0.64 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 30.8 p90 -64.23 -45.09 89.72 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.404 -0.81 . . . . 0.0 112.349 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.644 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.1 tt0 -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.413 -1.429 . . . . 0.0 109.726 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.53 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 71.5 mt-10 -78.33 -39.91 38.13 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.137 -177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -80.04 -31.78 39.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.663 -1.273 . . . . 0.0 108.557 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 71' ' ' PHE . 64.7 t -70.02 -40.06 78.08 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.252 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -68.29 -40.01 81.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.405 -0.809 . . . . 0.0 110.0 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.66 -37.15 81.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.984 -1.072 . . . . 0.0 109.855 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.28 -40.04 79.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 O-C-N 121.361 -0.837 . . . . 0.0 109.511 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.77 87.72 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.536 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -62.83 -36.64 83.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.94 -40.18 96.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.637 -1.29 . . . . 0.0 109.539 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -60.16 -39.84 87.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.536 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -60.09 -37.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.665 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -70.02 -22.08 63.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.446 ' SG ' ' C ' ' B' ' 84' ' ' ALA . 3.8 m -149.69 65.46 0.99 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.424 ' H ' ' HG3' ' B' ' 49' ' ' LYS . 22.4 t-20 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.406 ' HB2' HG13 ' B' ' 14' ' ' VAL . 48.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.106 0.479 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.85 -40.04 76.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.013 -1.054 . . . . 0.0 109.399 -179.354 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.631 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 10.6 tp10 -59.96 -40.07 87.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.32 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.001 -1.062 . . . . 0.0 109.697 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.69 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.605 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.357 -0.84 . . . . 0.0 109.529 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.91 -40.0 87.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -59.91 -39.75 86.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.88 -39.99 87.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.001 -1.062 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -41.33 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.64 -1.287 . . . . 0.0 109.442 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -62.0 -40.0 94.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.401 -0.812 . . . . 0.0 111.253 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' B' ' 3' ' ' GLU . 38.8 t -70.09 -39.95 77.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 O-C-N 120.481 -1.387 . . . . 0.0 111.523 -178.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.573 ' HD1' ' HZ1' ' A' ' 27' ' ' LYS . 14.7 m-85 -54.52 -37.11 64.98 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.438 -1.414 . . . . 0.0 107.614 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' GLY . 83.9 t60 -60.09 -39.76 87.22 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.331 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -53.51 57.56 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 111.031 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -74.73 -40.78 61.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.525 -1.359 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -89.67 -1.06 57.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.12 -0.988 . . . . 0.0 111.15 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.4 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.243 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' TYR . 19.7 ttpp . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 88.1 m-85 -54.52 -172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.601 ' O ' HD22 ' A' ' 28' ' ' LEU . 11.4 tppt? -67.1 -80.39 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.233 -1.542 . . . . 0.0 109.038 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -174.86 177.71 1.97 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.5 t -69.99 149.32 47.85 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 60' ' ' GLU . 3.0 mtmt -54.51 -40.11 68.24 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.395 -1.441 . . . . 0.0 109.596 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.98 -51.49 67.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.011 -1.68 . . . . 0.0 110.199 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.9 tp10 -66.01 -40.06 90.78 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.638 -1.289 . . . . 0.0 108.214 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.856 HD23 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -44.82 -41.59 7.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.856 ' N ' HD23 ' A' ' 33' ' ' LEU . 5.9 tptp -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.144 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLU . 57.5 t0 -59.57 -33.95 72.07 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.692 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 36' ' ' LEU . 9.2 mp -72.78 -56.08 5.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.363 -0.836 . . . . 0.0 111.659 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -47.47 85.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.87 -1.144 . . . . 0.0 111.679 -177.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.48 -17.22 63.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.546 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 1.8 m -81.72 -36.24 28.86 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.405 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.653 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 10.8 pt-20 -89.08 -6.7 56.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.089 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 45' ' ' LEU . 15.5 mt -111.7 29.99 7.37 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -41.09 91.41 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.303 -0.873 . . . . 0.0 110.954 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 96.8 p -75.37 -35.84 61.04 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 108.971 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.1 m-85 -60.42 -39.5 87.63 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 41' ' ' LEU . 6.3 mp -62.35 2.5 0.25 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 44' ' ' PHE . 79.8 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.954 -1.091 . . . . 0.0 109.223 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.57 99.31 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.333 -0.854 . . . . 0.0 109.903 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.5 115.02 6.65 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.09 -1.006 . . . . 0.0 108.783 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -91.66 -74.97 0.49 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.714 . . . . 0.0 110.006 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -98.03 104.27 16.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.02 -1.05 . . . . 0.0 109.927 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.82 -16.65 60.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -70.62 -39.55 73.68 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.03 60.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.679 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -36.77 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 43.4 t0 -59.98 -40.07 87.88 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.619 -0.675 . . . . 0.0 110.259 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.14 -38.81 86.17 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.012 -1.055 . . . . 0.0 109.638 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.446 HG23 HD21 ' A' ' 77' ' ' LEU . 78.2 mt -60.0 -40.05 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 121.573 -0.704 . . . . 0.0 109.35 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.622 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.75 -33.84 76.55 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.326 -0.859 . . . . 0.0 109.301 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -41.85 96.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.081 -1.012 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 71.6 mm-40 -60.1 -40.31 89.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.889 -1.132 . . . . 0.0 110.118 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 30' ' ' LYS . 18.6 mt -66.38 -25.21 66.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.041 0.924 . . . . 0.0 108.58 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.23 -29.14 38.43 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -59.99 -41.51 92.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.659 HD22 ' CA ' ' A' ' 67' ' ' GLY . 48.6 t30 -169.08 73.88 0.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -49.59 -25.65 6.78 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -87.42 0.16 55.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -1.094 . . . . 0.0 109.888 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.659 ' CA ' HD22 ' A' ' 64' ' ' ASN . . . -63.21 -152.34 0.05 OUTLIER Glycine 0 N--CA 1.477 1.421 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CG ' ' A' ' 26' ' ' TYR . 85.7 tt0 -146.91 152.76 39.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.498 -1.001 . . . . 0.0 110.454 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.703 HG21 HD12 ' A' ' 33' ' ' LEU . 10.3 m -133.68 160.32 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.503 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 90.5 m-20 -128.12 -160.11 0.99 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.34 0.59 . . . . 0.0 109.61 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.2 p90 -61.88 -45.09 95.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.81 . . . . 0.0 111.69 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.4 tt0 -70.8 -31.49 68.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.931 -1.106 . . . . 0.0 109.837 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.9 mt-10 -76.88 -35.68 57.26 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.987 -1.071 . . . . 0.0 108.887 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 78' ' ' VAL . 56.9 t80 -69.94 -39.41 76.1 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.115 0.959 . . . . 0.0 109.407 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.6 t -73.84 -42.01 53.83 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.588 -0.695 . . . . 0.0 111.508 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.28 -40.91 78.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 121.548 -0.72 . . . . 0.0 110.598 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD21 HG23 ' A' ' 57' ' ' ILE . 6.7 tp -74.4 -32.3 62.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 109.728 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 74' ' ' PHE . 53.0 t -70.0 -40.23 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.302 -0.874 . . . . 0.0 109.187 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.91 95.88 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.784 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.79 -36.39 78.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 81' ' ' LEU . 2.5 tt -69.99 -37.73 75.79 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.403 -1.436 . . . . 0.0 108.969 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.01 -40.04 87.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.9 . . . . 0.0 110.178 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.4 p -58.43 -31.96 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 108.999 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.679 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.12 -24.22 64.08 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.866 -0.521 . . . . 0.0 110.465 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.443 ' SG ' ' C ' ' A' ' 84' ' ' ALA . 1.5 m -147.74 52.62 1.04 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.482 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.439 ' HB2' HG13 ' A' ' 14' ' ' VAL . 48.1 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.065 0.459 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.403 ' N ' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.991 -1.068 . . . . 0.0 109.464 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.653 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 10.6 tp10 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.254 -0.904 . . . . 0.0 110.183 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -60.04 -40.34 89.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.965 -1.084 . . . . 0.0 109.563 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.59 79.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.415 -0.803 . . . . 0.0 109.73 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.407 -0.808 . . . . 0.0 109.493 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.02 -39.8 87.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 0.0 108.718 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -59.98 -39.84 87.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.799 . . . . 0.0 109.591 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.02 87.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.955 -1.091 . . . . 0.0 109.869 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.99 -41.15 85.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.832 -1.167 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -62.42 -39.86 94.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.553 -0.717 . . . . 0.0 111.322 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 3' ' ' GLU . 40.7 t -70.03 -40.07 78.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.492 -1.38 . . . . 0.0 111.55 -178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.541 ' HD1' ' HZ1' ' B' ' 27' ' ' LYS . 14.8 m-85 -54.27 -37.18 64.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.482 -1.387 . . . . 0.0 107.595 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' B' ' 20' ' ' GLY . 83.5 t60 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -53.55 57.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.981 -1.075 . . . . 0.0 110.98 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -74.81 -40.57 61.02 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.442 -1.411 . . . . 0.0 110.844 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.7 m -89.76 -0.97 57.87 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.053 -1.029 . . . . 0.0 111.165 -178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.47 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 17.4 ttpp . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.46 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 87.1 m-85 -54.71 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.565 ' O ' HD22 ' B' ' 28' ' ' LEU . 11.2 tppt? -66.77 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.378 -1.451 . . . . 0.0 109.071 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.69 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -174.66 177.9 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -70.04 149.29 47.83 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.486 ' CE ' ' O ' ' B' ' 60' ' ' GLU . 2.8 mtmt -54.35 -40.46 68.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.337 -1.477 . . . . 0.0 109.651 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.7 -51.83 66.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.013 -1.68 . . . . 0.0 110.256 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 35' ' ' ASP . 54.7 tp10 -65.71 -40.3 92.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.633 -1.292 . . . . 0.0 108.162 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.853 HD23 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -44.45 -41.93 6.66 Favored 'General case' 0 C--O 1.2 -1.5 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.853 ' N ' HD23 ' B' ' 33' ' ' LEU . 5.6 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 32' ' ' GLU . 58.3 t0 -59.58 -33.79 71.89 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.761 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 36' ' ' LEU . 9.1 mp -72.77 -56.18 5.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.308 -0.87 . . . . 0.0 111.676 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.684 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -60.05 -47.36 86.2 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.814 -1.179 . . . . 0.0 111.749 -177.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -69.4 -17.43 63.66 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 -36.03 29.31 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.549 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.631 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 10.6 pt-20 -89.41 -6.4 56.6 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.359 -0.838 . . . . 0.0 109.964 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' HD13 ' B' ' 45' ' ' LEU . 15.5 mt -111.61 29.85 7.48 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.198 -0.939 . . . . 0.0 109.65 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -59.97 -41.31 91.67 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.321 -0.862 . . . . 0.0 110.965 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 96.2 p -75.03 -36.25 61.88 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.7 m-85 -60.0 -39.94 87.47 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 41' ' ' LEU . 5.8 mp -61.93 2.42 0.21 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' B' ' 44' ' ' PHE . 80.3 m-20 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.911 -1.118 . . . . 0.0 109.232 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.62 99.34 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.293 -0.879 . . . . 0.0 110.014 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.25 114.75 6.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.12 -0.987 . . . . 0.0 108.78 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -91.44 -75.18 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.672 -0.642 . . . . 0.0 109.806 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -98.08 104.4 16.43 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.047 -1.033 . . . . 0.0 109.961 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.65 -17.08 60.74 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.42 -39.8 74.22 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.25 58.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.352 -0.842 . . . . 0.0 109.463 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.67 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.89 -36.72 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 44.1 t0 -60.0 -40.0 87.7 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.26 -38.73 85.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.911 -1.118 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.463 HG23 HD21 ' B' ' 77' ' ' LEU . 75.1 mt -59.97 -40.08 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.569 0.699 . . . . 0.0 109.395 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.614 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -63.81 -33.68 76.21 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.315 -0.865 . . . . 0.0 109.343 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.27 -41.65 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.056 . . . . 0.0 110.999 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.486 ' O ' ' CE ' ' B' ' 30' ' ' LYS . 71.8 mm-40 -60.05 -40.46 89.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 110.074 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.469 HD22 ' O ' ' B' ' 30' ' ' LYS . 16.2 mt -66.58 -24.97 66.42 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.05 -29.2 39.22 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.05 -41.49 92.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.66 HD22 ' CA ' ' B' ' 67' ' ' GLY . 48.3 t30 -169.27 74.16 0.09 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -26.02 7.06 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.29 0.45 55.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -1.097 . . . . 0.0 109.838 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.66 ' CA ' HD22 ' B' ' 64' ' ' ASN . . . -63.02 -152.54 0.05 OUTLIER Glycine 0 N--CA 1.479 1.515 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.46 ' OE2' ' CG ' ' B' ' 26' ' ' TYR . 85.8 tt0 -146.89 152.81 39.31 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.525 -0.985 . . . . 0.0 110.399 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.715 HG21 HD12 ' B' ' 33' ' ' LEU . 9.8 m -133.83 160.38 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.513 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 89.0 m-20 -128.08 -160.25 1.0 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.4 0.619 . . . . 0.0 109.664 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.2 p90 -61.67 -44.91 96.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 111.734 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.613 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 66.0 tt0 -71.1 -31.37 67.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.937 -1.102 . . . . 0.0 109.85 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 46.2 mt-10 -76.84 -35.93 57.18 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.008 -1.058 . . . . 0.0 108.864 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.73 ' O ' HG23 ' B' ' 78' ' ' VAL . 59.6 t80 -69.66 -40.02 76.7 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.054 0.931 . . . . 0.0 109.35 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.28 -42.08 57.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 121.57 0.7 . . . . 0.0 111.618 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.27 -41.13 78.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.527 -0.733 . . . . 0.0 110.713 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.463 HD21 HG23 ' B' ' 57' ' ' ILE . 7.2 tp -74.47 -32.05 62.44 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.506 -0.746 . . . . 0.0 109.758 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.295 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.81 95.46 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.76 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.405 0.621 . . . . 0.0 109.441 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 81' ' ' LEU . 2.3 tt -69.79 -37.94 76.48 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.335 -1.478 . . . . 0.0 108.989 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.156 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.76 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -58.47 -32.21 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.207 -0.933 . . . . 0.0 108.914 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.67 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -69.15 -23.83 64.0 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.761 -0.587 . . . . 0.0 110.473 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.436 ' SG ' ' C ' ' B' ' 84' ' ' ALA . 1.7 m -147.79 52.4 1.04 Allowed 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.425 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' B' ' 14' ' ' VAL . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.542 0.687 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.176 ' CD2' HD22 ' B' ' 37' ' ' LEU . 4.2 tp -79.24 -54.01 6.39 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 111.185 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.68 -39.62 89.13 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.866 -1.146 . . . . 0.0 109.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.7 m -60.66 -40.54 92.42 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.062 -1.024 . . . . 0.0 110.433 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.453 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.65 -48.81 80.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 111.336 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.63 -39.39 88.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.116 -0.99 . . . . 0.0 110.335 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.8 -40.39 88.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.386 -1.446 . . . . 0.0 108.28 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -63.87 -37.3 86.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.694 -0.629 . . . . 0.0 109.482 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.723 HD11 HD11 ' B' ' 11' ' ' LEU . 7.7 mp -57.06 -44.38 82.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.547 -0.721 . . . . 0.0 109.89 -178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.5 -41.42 90.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 109.709 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -60.98 -40.99 95.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.261 -0.899 . . . . 0.0 112.054 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' HB3' ' B' ' 3' ' ' GLU . 37.8 t -71.14 -40.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.384 -1.447 . . . . 0.0 111.6 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 3.1 m-30 -58.42 -36.69 74.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -60.01 -33.88 72.6 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.0 63.19 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.899 -1.126 . . . . 0.0 109.649 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -71.58 -39.91 70.27 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.392 -1.443 . . . . 0.0 109.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 58.3 m -80.16 -11.8 59.71 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.186 -0.946 . . . . 0.0 110.56 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.171 0 C-N-CA 119.813 -1.184 . . . . 0.0 110.586 -178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -51.38 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' HD22 ' A' ' 28' ' ' LEU . 27.5 tptt -56.26 -79.72 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.369 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.29 158.8 3.65 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.328 -0.858 . . . . 0.0 109.434 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -50.21 152.95 1.59 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.398 -1.439 . . . . 0.0 107.904 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.644 ' HB3' HD23 ' A' ' 61' ' ' LEU . 46.2 mtpt -58.25 -43.06 87.66 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.613 -1.305 . . . . 0.0 111.381 -177.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -60.13 -46.61 89.06 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.267 -1.521 . . . . 0.0 110.719 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -71.16 -40.74 71.11 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.77 -1.206 . . . . 0.0 108.845 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.718 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.9 tm? -42.34 -48.54 5.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.623 -0.673 . . . . 0.0 109.514 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -71.21 -36.59 71.94 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.928 -1.108 . . . . 0.0 112.18 -178.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.47 -40.21 95.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.324 -1.485 . . . . 0.0 110.932 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.58 -54.33 14.58 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.304 -0.872 . . . . 0.0 111.91 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.246 HD22 ' CD2' ' B' ' 4' ' ' LEU . 15.2 mt -72.03 -39.0 69.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 113.409 -176.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.66 -28.42 67.25 Favored 'General case' 0 C--N 1.284 -2.263 0 O-C-N 120.664 -1.272 . . . . 0.0 108.501 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 m -79.16 -43.83 23.17 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.758 ' CD ' ' HB3' ' B' ' 4' ' ' LEU . 85.3 tt0 -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.179 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.12 32.35 1.17 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.181 -0.95 . . . . 0.0 108.939 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 m -59.66 -39.99 86.27 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.675 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 83.3 p -60.45 -32.7 71.64 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.251 -0.906 . . . . 0.0 109.07 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -65.15 -39.03 92.42 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.12 -10.02 36.84 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 44.6 t0 -50.68 -32.47 19.39 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.2 p -163.69 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.266 -0.897 . . . . 0.0 110.004 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.8 124.63 24.49 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.136 -0.977 . . . . 0.0 109.833 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 84' ' ' ALA . 71.0 mmtt -81.24 -69.82 0.58 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -97.85 102.9 14.77 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.05 -1.031 . . . . 0.0 109.601 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -13.76 60.62 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -70.2 -39.87 74.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.87 12.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 108.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.69 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -57.11 -35.05 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.527 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 58.8 t0 -59.79 -40.14 87.29 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.81 -40.54 93.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.487 -0.758 . . . . 0.0 108.992 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.56 -41.01 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.03 -35.31 74.81 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.85 -1.157 . . . . 0.0 109.668 179.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 61.7 mttp -62.49 -40.76 97.71 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.246 -0.909 . . . . 0.0 111.937 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -70.4 -39.9 74.23 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.523 -1.36 . . . . 0.0 110.044 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 30' ' ' LYS . 24.8 mt -68.5 -29.65 68.31 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.453 -0.779 . . . . 0.0 111.683 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -91.49 -33.46 15.19 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.088 -1.007 . . . . 0.0 110.312 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -28.43 64.89 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 108.959 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -157.91 51.01 0.43 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.695 -0.628 . . . . 0.0 109.557 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.96 -28.24 11.8 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.09 0.1 33.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.452 -1.028 . . . . 0.0 109.005 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.92 -151.5 0.04 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -151.51 147.1 26.41 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.475 -1.014 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 28' ' ' LEU . 4.2 m -129.72 147.71 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.422 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 45.2 p-10 -123.16 -162.03 1.0 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 109.323 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.657 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 1.1 p90 -60.03 -49.42 77.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 111.187 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.4 tm0? -67.27 -38.09 84.52 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.696 -1.253 . . . . 0.0 109.481 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 13.9 tp10 -72.85 -40.03 66.05 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -60.44 -35.92 76.97 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.725 HG11 ' HB2' ' B' ' 79' ' ' ALA . 40.3 t -74.81 -38.12 43.57 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.371 -0.831 . . . . 0.0 111.705 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.66 -45.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.585 -1.322 . . . . 0.0 111.4 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.38 -38.45 74.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.821 -1.174 . . . . 0.0 110.516 179.433 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 74' ' ' PHE . 47.2 t -71.8 -35.37 54.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.025 -1.047 . . . . 0.0 110.099 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.765 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.62 -39.26 93.91 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.562 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -68.13 -22.79 64.85 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 108.735 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -76.03 -40.08 54.27 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.689 -1.257 . . . . 0.0 108.552 179.103 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -68.61 -40.98 80.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.979 -1.076 . . . . 0.0 110.985 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 80' ' ' ALA . 9.8 p -59.65 -38.43 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.69 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -58.14 -21.78 48.23 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.421 ' HA ' ' H ' ' A' ' 49' ' ' LYS . 3.3 m -140.92 64.7 1.42 Allowed 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 71' ' ' PHE . 21.0 m120 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' HB3' HG13 ' A' ' 14' ' ' VAL . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.45 0.643 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.246 ' CD2' HD22 ' A' ' 37' ' ' LEU . 4.3 tp -77.84 -53.88 6.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 111.204 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.71 -39.48 88.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.976 -1.078 . . . . 0.0 109.636 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.23 -40.08 92.68 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.14 -0.975 . . . . 0.0 110.459 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.483 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.71 -48.9 79.73 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 111.213 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 81.9 mmm -60.59 -38.15 83.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.887 -1.133 . . . . 0.0 110.639 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.385 -1.447 . . . . 0.0 108.336 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -65.23 -35.71 81.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.77 -0.581 . . . . 0.0 109.675 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 11' ' ' LEU . 7.3 mp -58.54 -43.76 89.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.666 -0.646 . . . . 0.0 109.893 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.78 -41.8 92.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 O-C-N 121.045 -1.034 . . . . 0.0 109.518 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -60.53 -41.28 94.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.364 -0.835 . . . . 0.0 112.069 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' A' ' 3' ' ' GLU . 34.5 t -70.96 -40.3 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.464 -1.398 . . . . 0.0 111.651 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 3.3 m-30 -58.93 -36.32 74.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.446 -1.409 . . . . 0.0 107.457 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.0 t-80 -59.83 -33.85 72.31 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.2 66.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.038 -1.039 . . . . 0.0 109.566 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -71.96 -40.2 68.81 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.383 -1.448 . . . . 0.0 109.966 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -79.99 -11.18 59.8 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.138 -0.977 . . . . 0.0 110.387 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.338 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.666 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -52.46 175.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.463 ' O ' HD22 ' B' ' 28' ' ' LEU . 26.6 tptt -55.34 -81.03 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 118.438 -1.305 . . . . 0.0 109.589 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.576 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -172.25 158.66 4.53 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 121.269 -0.894 . . . . 0.0 109.396 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -49.22 153.73 0.94 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.438 -1.414 . . . . 0.0 107.93 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.661 ' HB3' HD23 ' B' ' 61' ' ' LEU . 47.0 mtpt -59.53 -42.57 92.59 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.263 . . . . 0.0 110.834 -177.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -59.96 -47.37 86.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.156 -1.59 . . . . 0.0 110.742 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.7 tp10 -70.64 -40.54 73.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.706 -1.246 . . . . 0.0 108.716 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.703 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.9 tm? -42.55 -49.1 5.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.599 -0.688 . . . . 0.0 109.628 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.435 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -70.43 -36.91 74.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.899 -1.126 . . . . 0.0 112.116 -178.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.65 -40.2 96.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.332 -1.48 . . . . 0.0 110.825 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.54 -53.21 20.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.385 -0.822 . . . . 0.0 111.784 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 1.176 HD22 ' CD2' ' A' ' 4' ' ' LEU . 15.4 mt -72.32 -39.87 67.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.939 -1.1 . . . . 0.0 113.292 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -59.17 -28.25 66.43 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 120.816 -1.177 . . . . 0.0 108.53 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -79.39 -42.82 24.66 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.191 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.757 ' CD ' ' HB3' ' A' ' 4' ' ' LEU . 83.6 tt0 -71.36 -36.01 71.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.381 -0.824 . . . . 0.0 109.055 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.74 32.97 0.94 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m -60.16 -39.8 87.65 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.284 -0.885 . . . . 0.0 110.486 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 94.1 p -60.55 -32.8 71.85 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.185 -0.947 . . . . 0.0 108.981 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -64.58 -39.42 93.69 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.89 -10.12 35.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 44.9 t0 -50.52 -32.3 17.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.496 ' O ' HG13 ' B' ' 47' ' ' VAL . 5.0 p -164.05 92.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.35 -0.844 . . . . 0.0 110.197 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.18 124.16 23.44 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 121.087 -1.008 . . . . 0.0 109.685 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' B' ' 84' ' ' ALA . 68.9 mmtt -81.26 -69.66 0.59 Allowed 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -97.78 103.05 14.95 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 109.66 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.16 -14.46 60.96 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -70.51 -38.65 74.32 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -55.22 11.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.99 . . . . 0.0 108.9 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.7 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -56.84 -35.16 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 57.9 t0 -60.14 -39.81 87.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.839 . . . . 0.0 108.997 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.42 -41.3 93.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.434 -0.791 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.17 -40.85 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 109.785 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.13 -35.76 75.99 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.85 -1.156 . . . . 0.0 109.805 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 62.2 mttp -62.63 -40.36 96.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.021 -1.05 . . . . 0.0 112.082 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.16 -40.1 74.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.523 -1.361 . . . . 0.0 109.958 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' B' ' 30' ' ' LYS . 22.9 mt -68.26 -29.23 67.99 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.505 -0.747 . . . . 0.0 111.637 -178.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.26 -32.24 15.11 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 110.426 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -29.02 64.89 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -157.4 51.31 0.46 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.71 -0.619 . . . . 0.0 109.347 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -27.48 10.36 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -81.18 2.01 29.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.334 -1.098 . . . . 0.0 108.836 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.56 -152.02 0.08 OUTLIER Glycine 0 N--CA 1.478 1.453 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -151.6 146.63 25.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.974 . . . . 0.0 110.77 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.576 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.9 m -128.8 148.0 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.407 ' HA ' ' H ' ' B' ' 27' ' ' LYS . 48.8 p-10 -122.91 -161.38 0.95 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 1.1 p90 -60.22 -50.11 74.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.371 -0.831 . . . . 0.0 111.208 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.8 tm0? -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.818 -1.176 . . . . 0.0 109.567 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -72.64 -40.08 66.67 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -61.02 -33.43 73.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' ' 79' ' ' ALA . 38.3 t -77.65 -37.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 O-C-N 121.348 -0.845 . . . . 0.0 111.301 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.45 -42.98 73.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 120.728 -1.232 . . . . 0.0 111.111 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 77' ' ' LEU . 0.7 OUTLIER -72.73 -38.96 67.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.832 -1.168 . . . . 0.0 110.223 179.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 74' ' ' PHE . 46.3 t -71.09 -36.45 63.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.007 -1.058 . . . . 0.0 109.963 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.725 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.73 -38.89 92.28 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.562 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -68.09 -22.15 64.93 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.328 1.061 . . . . 0.0 108.665 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.41 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -77.34 -39.97 45.76 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.736 -1.227 . . . . 0.0 108.574 179.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -68.59 -40.16 80.6 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.045 -1.034 . . . . 0.0 110.691 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.562 HG12 ' O ' ' B' ' 80' ' ' ALA . 9.2 p -60.05 -38.01 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.7 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -59.12 -21.68 59.67 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.406 ' HA ' ' H ' ' B' ' 49' ' ' LYS . 3.4 m -140.15 63.36 1.48 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.657 ' ND2' ' CE1' ' A' ' 71' ' ' PHE . 20.6 m120 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.663 0.268 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' CD2' HG11 ' B' ' 14' ' ' VAL . 63.4 mt -72.78 -51.46 18.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.606 -1.309 . . . . 0.0 109.985 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.09 -40.25 88.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.006 -1.059 . . . . 0.0 110.07 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -61.24 -40.0 92.38 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 110.605 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.461 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.34 -41.0 92.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 0.0 110.501 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtp -60.05 -38.54 83.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.172 -0.955 . . . . 0.0 110.214 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -40.01 88.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.131 -1.605 . . . . 0.0 108.264 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.27 -39.14 91.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.444 -0.785 . . . . 0.0 109.014 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 7' ' ' ALA . 9.0 mp -56.81 -39.87 74.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.534 -0.729 . . . . 0.0 109.426 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 HD13 ' CE2' ' A' ' 15' ' ' PHE . 35.6 mm -59.96 -46.12 94.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.909 -1.119 . . . . 0.0 110.002 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 0.0 110.784 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' B' ' 4' ' ' LEU . 44.2 t -62.98 -39.93 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 120.775 -1.203 . . . . 0.0 110.857 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' A' ' 19' ' ' SER . 2.8 m-30 -51.9 -37.6 53.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.434 -1.416 . . . . 0.0 107.514 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.9 t60 -56.69 -38.92 72.94 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.06 9.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.77 -1.206 . . . . 0.0 109.083 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -87.27 -45.96 10.14 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.07 -1.018 . . . . 0.0 110.595 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 15' ' ' PHE . 52.8 p -77.38 -38.85 49.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.069 -1.019 . . . . 0.0 111.537 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.158 0.504 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 27' ' ' LYS . 48.9 m-85 -51.34 169.99 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' TYR . 43.7 tptt -52.45 -93.92 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.586 -1.321 . . . . 0.0 108.855 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 179.05 -177.21 0.27 Allowed 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.763 -1.211 . . . . 0.0 110.425 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.16 146.56 14.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.718 ' O ' HD23 ' A' ' 61' ' ' LEU . 39.9 mtpt -59.97 -44.35 94.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.405 -0.81 . . . . 0.0 111.975 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.105 -1.622 . . . . 0.0 110.793 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -79.41 -27.68 41.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.027 -1.045 . . . . 0.0 109.819 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.719 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.7 tm? -59.69 -48.82 80.16 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.971 -1.081 . . . . 0.0 109.18 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HB2' HD22 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -65.77 -38.83 90.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.58 -1.325 . . . . 0.0 109.922 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.326 -1.484 . . . . 0.0 110.572 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.46 -57.23 4.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.862 -1.149 . . . . 0.0 112.463 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD13 ' CG2' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -71.88 -32.01 67.01 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.487 -1.383 . . . . 0.0 112.07 -177.411 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -60.05 -29.85 68.8 Favored 'General case' 0 C--N 1.281 -2.389 0 O-C-N 120.923 -1.111 . . . . 0.0 108.525 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -70.82 -40.07 72.69 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.149 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' OE1' ' HB2' ' B' ' 4' ' ' LEU . 3.8 pt-20 -85.3 -12.61 51.95 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.829 -1.17 . . . . 0.0 109.201 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.0 mt -100.88 17.35 22.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -60.11 -40.02 88.24 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 69.0 m -61.93 -39.96 93.87 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 28.0 m-85 -61.15 -39.99 92.16 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.14 -7.93 27.09 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 43' ' ' SER . 46.1 t0 -55.54 -38.6 69.49 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.9 p -145.84 87.45 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.877 -1.14 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.31 120.56 15.32 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.318 -0.864 . . . . 0.0 109.766 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.1 -64.35 1.21 Allowed 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -99.98 99.55 10.32 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -18.82 61.81 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.429 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -70.95 -38.56 72.83 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.569 -0.707 . . . . 0.0 109.456 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.21 54.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.98 -40.17 92.45 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.836 -0.54 . . . . 0.0 110.671 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -66.48 -39.5 88.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.2 -0.938 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.656 ' O ' HD12 ' A' ' 61' ' ' LEU . 81.6 mt -60.01 -49.35 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 108.986 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttm -60.05 -28.0 67.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.891 -0.506 . . . . 0.0 109.682 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.82 -38.5 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.281 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.82 -40.1 79.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.838 -1.164 . . . . 0.0 111.506 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 30' ' ' LYS . 2.2 mp -78.67 -21.63 47.98 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.55 -1.343 . . . . 0.0 110.015 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -86.96 -29.72 21.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.632 -1.292 . . . . 0.0 109.39 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -82.42 -28.64 31.24 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ASP . 19.4 m120 -143.08 39.47 1.46 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.379 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -46.86 -18.47 0.4 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ASN . 96.0 m-20 -89.78 0.85 56.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.186 -1.184 . . . . 0.0 109.633 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.13 -157.48 2.53 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -145.56 152.54 39.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.718 -0.872 . . . . 0.0 109.736 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.8 m -136.97 150.74 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.339 -0.85 . . . . 0.0 109.078 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.509 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 5.5 m-20 -120.73 -158.25 0.75 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.295 -0.878 . . . . 0.0 110.589 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.76 84.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.718 -0.614 . . . . 0.0 111.859 -177.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.662 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.0 -27.87 65.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.6 -1.312 . . . . 0.0 109.551 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 48.9 mp0 -78.73 -40.01 34.72 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.534 -0.729 . . . . 0.0 109.376 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.495 ' CD2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -66.49 -39.28 88.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' B' ' 79' ' ' ALA . 55.7 t -74.89 -42.69 46.53 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 O-C-N 121.664 -0.648 . . . . 0.0 111.654 -177.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' B' ' 76' ' ' VAL . 54.4 t -70.22 -40.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.288 -0.883 . . . . 0.0 110.542 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt -70.77 -40.29 72.73 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.793 -0.567 . . . . 0.0 110.536 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.5 ' CG2' HD13 ' A' ' 37' ' ' LEU . 59.6 t -69.95 -40.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -62.21 -39.72 93.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.899 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.53 -39.6 88.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.593 0.711 . . . . 0.0 109.169 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 81' ' ' LEU . 5.5 tt -65.14 -40.31 94.25 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.611 -1.305 . . . . 0.0 109.707 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 86' ' ' ASN . 94.6 m -62.42 -39.99 95.08 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.014 -1.053 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 80' ' ' ALA . 2.8 p -50.37 -32.57 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.848 -1.157 . . . . 0.0 108.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.0 -22.62 61.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.982 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 87.1 m -131.04 21.18 4.9 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.222 -0.924 . . . . 0.0 109.564 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 82' ' ' THR . 48.8 t30 . . . . . 0 N--CA 1.494 1.739 0 O-C-N 120.988 -1.07 . . . . 0.0 109.698 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.581 0.229 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.569 ' CD2' HG11 ' A' ' 14' ' ' VAL . 61.5 mt -73.16 -51.16 18.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.664 -1.273 . . . . 0.0 109.96 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.02 -40.59 89.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 109.995 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -61.14 -39.97 92.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.85 . . . . 0.0 110.561 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.465 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.71 -40.74 93.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.111 -0.993 . . . . 0.0 110.499 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.4 mtp -60.03 -38.59 83.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.071 -1.018 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.0 87.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.202 -1.561 . . . . 0.0 108.329 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -62.04 -39.52 92.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.417 -0.802 . . . . 0.0 109.051 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 7' ' ' ALA . 9.1 mp -56.65 -39.88 74.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.611 -0.681 . . . . 0.0 109.476 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.435 HD13 ' CE2' ' B' ' 15' ' ' PHE . 37.5 mm -59.88 -46.18 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.94 -1.1 . . . . 0.0 110.003 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -59.98 -39.99 87.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.008 . . . . 0.0 110.882 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.56 HG11 ' CD2' ' A' ' 4' ' ' LEU . 39.2 t -63.2 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.8 -1.188 . . . . 0.0 110.815 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.546 ' O ' ' N ' ' B' ' 19' ' ' SER . 2.7 m-30 -51.85 -37.56 52.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.45 -1.406 . . . . 0.0 107.535 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' B' ' 20' ' ' GLY . 71.9 t60 -56.72 -38.69 72.69 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.8 -57.08 9.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.802 -1.186 . . . . 0.0 109.067 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -87.51 -45.77 10.19 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.998 -1.064 . . . . 0.0 110.633 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 15' ' ' PHE . 53.6 p -77.29 -39.01 49.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.089 -1.007 . . . . 0.0 111.534 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.472 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' B' ' 27' ' ' LYS . 48.6 m-85 -51.38 169.95 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 44.0 tptt -52.35 -93.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.592 -1.318 . . . . 0.0 108.921 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.498 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 178.5 -177.16 0.24 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.754 -1.216 . . . . 0.0 110.33 178.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.04 146.46 14.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.032 -1.042 . . . . 0.0 110.321 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.72 ' O ' HD23 ' B' ' 61' ' ' LEU . 38.5 mtpt -60.04 -44.05 94.91 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.435 -0.79 . . . . 0.0 112.037 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -60.08 -39.92 87.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.109 -1.619 . . . . 0.0 110.778 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -79.63 -27.8 40.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.986 -1.071 . . . . 0.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.722 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.7 tm? -59.54 -49.12 79.01 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.874 -1.141 . . . . 0.0 109.138 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.572 ' HB2' HD22 ' B' ' 61' ' ' LEU . 0.6 OUTLIER -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.512 -1.368 . . . . 0.0 109.968 -179.547 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.93 -40.11 87.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.263 -1.523 . . . . 0.0 110.604 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.61 -57.05 4.74 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.888 -1.132 . . . . 0.0 112.459 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.511 HD13 ' CG2' ' B' ' 78' ' ' VAL . 0.9 OUTLIER -71.7 -32.19 67.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.512 -1.367 . . . . 0.0 112.15 -177.338 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.02 -30.02 68.89 Favored 'General case' 0 C--N 1.281 -2.375 0 O-C-N 121.03 -1.044 . . . . 0.0 108.505 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.6 m -70.78 -39.99 72.86 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.3 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.522 ' OE1' ' HB2' ' A' ' 4' ' ' LEU . 3.9 pt-20 -85.17 -12.84 51.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.891 -1.13 . . . . 0.0 109.129 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -100.77 17.46 21.96 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.338 -0.852 . . . . 0.0 109.899 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 67.8 m -61.83 -39.97 93.66 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 27.6 m-85 -61.29 -39.98 92.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.23 -7.75 26.31 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 43' ' ' SER . 46.2 t0 -55.57 -38.49 69.41 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.084 -1.01 . . . . 0.0 109.217 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 47' ' ' VAL . 4.4 p -146.06 87.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 120.987 -1.071 . . . . 0.0 110.136 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.61 120.5 15.49 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 121.254 -0.904 . . . . 0.0 109.883 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.3 mmmp? -79.96 -64.35 1.21 Allowed 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.1 99.55 10.29 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.03 -18.82 61.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.532 -0.73 . . . . 0.0 109.376 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.2 -38.44 72.06 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 109.45 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.41 51.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 109.246 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -40.3 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 50.3 t0 -60.91 -40.01 91.51 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.083 0.468 . . . . 0.0 110.758 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -66.84 -39.4 87.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.977 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.653 ' O ' HD12 ' B' ' 61' ' ' LEU . 82.4 mt -59.94 -49.15 85.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.335 -0.853 . . . . 0.0 109.04 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttm -59.92 -28.34 67.52 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.822 -0.548 . . . . 0.0 109.698 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.31 -39.17 92.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.952 . . . . 0.0 110.249 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 98.8 mt-10 -68.66 -40.06 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.832 -1.167 . . . . 0.0 111.515 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.72 HD23 ' O ' ' B' ' 30' ' ' LYS . 2.2 mp -78.54 -21.86 48.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.421 -1.424 . . . . 0.0 110.033 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -86.81 -29.83 21.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.657 -1.277 . . . . 0.0 109.383 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -82.41 -28.46 31.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.565 -0.709 . . . . 0.0 109.137 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' B' ' 66' ' ' ASP . 17.9 m120 -143.05 39.07 1.45 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.532 -0.73 . . . . 0.0 109.504 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -46.58 -18.8 0.39 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.1 m-20 -89.58 0.92 56.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.174 . . . . 0.0 109.632 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.18 -157.49 2.57 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -145.62 152.44 39.67 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.669 -0.9 . . . . 0.0 109.799 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.498 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.1 m -136.88 150.56 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.443 -0.785 . . . . 0.0 109.103 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.492 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 5.4 m-20 -120.56 -158.27 0.74 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.3 -0.875 . . . . 0.0 110.624 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.671 -0.643 . . . . 0.0 111.703 -177.587 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.655 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.03 -27.91 65.05 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.566 -1.334 . . . . 0.0 109.435 -179.438 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 48.4 mp0 -78.46 -40.04 36.76 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.428 -0.795 . . . . 0.0 109.554 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.492 ' CD2' HG23 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.63 -39.06 88.12 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 79' ' ' ALA . 54.5 t -74.94 -42.8 46.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 O-C-N 121.714 -0.617 . . . . 0.0 111.508 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' A' ' 76' ' ' VAL . 54.5 t -70.01 -40.37 78.46 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.252 -0.905 . . . . 0.0 110.602 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -71.3 -40.08 71.07 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.656 -0.652 . . . . 0.0 110.469 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.511 ' CG2' HD13 ' B' ' 37' ' ' LEU . 53.7 t -70.09 -39.88 77.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.179 -0.951 . . . . 0.0 109.333 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.569 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.19 -39.86 94.13 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.865 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.49 -39.84 89.15 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.578 0.704 . . . . 0.0 109.233 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.628 ' O ' HD23 ' B' ' 81' ' ' LEU . 5.4 tt -64.75 -40.98 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.586 -1.321 . . . . 0.0 109.767 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.56 ' O ' ' N ' ' B' ' 86' ' ' ASN . 95.0 m -61.81 -39.99 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 110.308 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.865 HG12 ' O ' ' B' ' 80' ' ' ALA . 2.4 p -50.39 -32.55 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.808 -1.182 . . . . 0.0 108.084 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.19 -22.65 61.24 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.969 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 83.4 m -131.02 21.26 4.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -178.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' B' ' 82' ' ' THR . 47.8 t30 . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.016 -1.053 . . . . 0.0 109.653 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.425 ' CG ' HG22 ' B' ' 14' ' ' VAL . 53.2 tp10 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.169 0.509 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -38.77 92.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 110.948 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.539 -1.351 . . . . 0.0 109.48 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -62.77 -40.11 96.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.276 -0.89 . . . . 0.0 111.116 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' B' ' 11' ' ' LEU . . . -68.91 -46.43 68.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.009 -1.057 . . . . 0.0 111.358 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ttt -61.35 -38.44 86.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.954 -1.091 . . . . 0.0 109.982 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.384 -1.447 . . . . 0.0 107.791 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -63.17 -36.5 83.83 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 8.6 mp -59.84 -40.03 87.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.494 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.12 -42.26 89.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.867 -1.146 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.89 -40.01 91.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.164 -0.96 . . . . 0.0 111.089 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG22 ' CG ' ' B' ' 3' ' ' GLU . 16.9 t -69.43 -36.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.903 -1.123 . . . . 0.0 110.67 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.9 m-30 -52.08 -39.95 60.49 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 68.0 t60 -61.97 -31.64 72.01 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.427 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.74 -57.57 9.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.676 -1.265 . . . . 0.0 109.236 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.02 -43.23 24.71 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.953 -1.092 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -75.28 -20.19 59.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.912 -1.118 . . . . 0.0 111.019 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.257 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.204 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -55.74 153.99 7.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 108.987 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.593 ' HB3' HG23 ' A' ' 69' ' ' VAL . 48.1 tptt -49.83 -93.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.121 -0.987 . . . . 0.0 108.949 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 177.46 -177.14 0.18 Allowed 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.023 -1.048 . . . . 0.0 110.455 179.288 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -54.53 145.03 19.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.45 -1.406 . . . . 0.0 110.858 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.66 -41.34 73.5 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.365 -0.834 . . . . 0.0 111.043 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' GLY . 47.2 tptt -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.141 -1.599 . . . . 0.0 110.984 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -73.84 -26.04 60.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.841 -1.162 . . . . 0.0 109.37 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -59.95 -40.04 87.65 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.941 -1.1 . . . . 0.0 109.454 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.945 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -76.07 -48.38 21.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.044 -1.035 . . . . 0.0 111.894 -178.48 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.55 -38.19 86.55 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 120.144 -1.598 . . . . 0.0 109.269 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.32 -55.69 19.56 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.505 -0.747 . . . . 0.0 111.265 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.03 -39.97 75.45 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.614 -1.304 . . . . 0.0 111.924 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 2.9 pp0? -58.32 -28.3 64.93 Favored 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.843 -1.161 . . . . 0.0 108.296 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.29 -40.02 52.68 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.83 0.824 . . . . 0.0 108.994 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -79.82 -9.75 59.7 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.411 0.624 . . . . 0.0 109.326 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -113.66 28.8 8.48 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -60.05 -40.38 89.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.582 -0.699 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -66.37 -28.25 68.5 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 108.775 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.84 -39.99 79.67 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.31 -7.73 4.78 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 43.5 t0 -49.21 -32.09 9.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 0.0 108.824 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.79 93.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.981 -1.074 . . . . 0.0 110.113 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.33 108.74 3.33 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.401 -0.812 . . . . 0.0 108.943 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 84' ' ' ALA . 66.1 mmtt -80.13 -69.51 0.59 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.695 -0.628 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -99.96 100.78 11.72 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.165 -0.96 . . . . 0.0 110.222 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.37 -24.75 63.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 109.183 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -63.7 -40.07 95.88 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.474 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.71 -51.65 67.53 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.507 ' O ' ' SD ' ' A' ' 58' ' ' MET . 51.2 t -51.3 -37.51 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -62.13 -40.02 94.51 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.356 0.598 . . . . 0.0 109.821 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -63.74 -42.21 97.91 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.911 0.862 . . . . 0.0 109.466 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.04 -43.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.705 -0.622 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.79 -29.49 69.47 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.11 -46.65 88.91 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 110.235 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.67 -40.18 96.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.016 -1.052 . . . . 0.0 111.153 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 10.5 mt -65.63 -24.83 67.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.919 -1.113 . . . . 0.0 108.032 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.81 -29.17 32.77 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.1 88.16 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.18 76.99 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -51.18 -25.83 11.8 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 67' ' ' GLY . 35.0 p-10 -89.42 0.94 56.48 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.658 -0.907 . . . . 0.0 109.094 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -61.98 -150.72 0.02 OUTLIER Glycine 0 N--CA 1.479 1.525 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.1 158.86 44.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.166 -1.196 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.658 HG21 HD12 ' A' ' 33' ' ' LEU . 3.1 m -143.39 158.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 29.2 t0 -128.55 -157.46 0.82 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.442 -0.786 . . . . 0.0 109.985 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.1 p90 -60.0 -44.74 94.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 112.853 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.647 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.1 tt0 -78.01 -26.26 48.41 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.522 -1.362 . . . . 0.0 109.565 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.0 mt-10 -80.31 -40.0 27.63 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 118.916 -1.113 . . . . 0.0 110.346 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -77.4 -35.83 53.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.907 -1.121 . . . . 0.0 108.542 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 71' ' ' PHE . 70.1 t -71.02 -40.67 76.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.147 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.6 t -70.24 -39.93 77.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 109.88 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.8 -37.82 82.5 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.707 -0.62 . . . . 0.0 110.219 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.0 t -69.32 -39.89 79.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.398 -0.814 . . . . 0.0 109.117 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.84 87.42 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.2 -39.93 88.27 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.9 tt -63.6 -34.78 78.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.938 -1.101 . . . . 0.0 108.898 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.4 m -59.97 -33.94 72.62 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.812 -1.18 . . . . 0.0 108.687 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.98 -38.54 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.3 -20.98 63.89 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -141.89 60.19 1.47 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.9 p30 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.508 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.443 ' CG ' HG22 ' A' ' 14' ' ' VAL . 53.3 tp10 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.119 0.485 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.43 -38.7 91.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.992 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.398 -1.439 . . . . 0.0 109.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -62.75 -40.02 95.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 111.076 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 11' ' ' LEU . . . -69.07 -46.8 66.91 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.983 -1.073 . . . . 0.0 111.177 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttt -60.94 -38.66 86.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 0.0 110.024 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.72 -40.05 86.7 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.482 -1.387 . . . . 0.0 107.783 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.39 -36.27 83.15 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 8.6 mp -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 0.0 109.494 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -42.23 89.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.92 -1.113 . . . . 0.0 109.593 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.9 -40.09 91.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -0.909 . . . . 0.0 111.073 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.425 HG22 ' CG ' ' A' ' 3' ' ' GLU . 15.4 t -69.48 -36.44 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.847 -1.158 . . . . 0.0 110.76 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.8 m-30 -51.97 -39.97 60.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' B' ' 20' ' ' GLY . 67.8 t60 -62.09 -31.6 72.05 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.424 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.78 -57.55 9.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.709 -1.244 . . . . 0.0 109.175 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.14 -43.08 24.75 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.947 -1.095 . . . . 0.0 110.614 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -75.23 -20.15 59.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.884 -1.135 . . . . 0.0 111.046 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.13 0 C-N-CA 119.626 -1.274 . . . . 0.0 110.109 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -55.9 153.71 8.25 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 109.034 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.574 ' HB3' HG23 ' B' ' 69' ' ' VAL . 47.7 tptt -49.49 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.052 -1.03 . . . . 0.0 108.85 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.615 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.28 -177.15 0.17 Allowed 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.958 -1.089 . . . . 0.0 110.434 179.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -54.43 144.96 19.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.416 -1.427 . . . . 0.0 110.831 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -55.56 -41.46 73.32 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.408 -0.807 . . . . 0.0 111.041 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 65' ' ' GLY . 44.6 tptt -59.97 -48.39 81.9 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.095 -1.628 . . . . 0.0 111.027 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -73.89 -25.89 60.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.81 -1.181 . . . . 0.0 109.337 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.938 HD23 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 0.0 109.679 179.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.938 ' N ' HD23 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -76.3 -48.28 20.66 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.987 -1.071 . . . . 0.0 111.893 -178.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 -37.66 84.77 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.2 -1.562 . . . . 0.0 109.282 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.91 -55.59 18.38 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.459 -0.776 . . . . 0.0 111.254 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.0 -39.92 75.6 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.568 -1.333 . . . . 0.0 111.966 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.432 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 2.9 pp0? -58.34 -28.28 64.94 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.944 -1.097 . . . . 0.0 108.381 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.1 m -76.26 -40.0 52.93 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.843 0.83 . . . . 0.0 109.028 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -79.87 -9.75 59.7 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.76 29.23 8.15 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.148 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 82.9 p -66.1 -28.79 69.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 108.708 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -68.4 -39.97 81.47 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.49 -7.65 4.93 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 43.4 t0 -49.24 -32.07 9.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 108.765 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.79 92.69 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.971 -1.08 . . . . 0.0 110.284 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -67.87 108.38 2.99 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.287 -0.883 . . . . 0.0 109.185 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' O ' ' B' ' 84' ' ' ALA . 65.9 mmtt -80.04 -69.66 0.57 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -100.04 101.02 11.98 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.056 -1.027 . . . . 0.0 110.129 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -24.57 62.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 109.065 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.94 -40.02 95.49 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.54 -51.66 67.66 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.505 ' O ' ' SD ' ' B' ' 58' ' ' MET . 52.9 t -51.46 -36.97 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.66 -39.93 95.47 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.255 0.55 . . . . 0.0 109.685 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.68 -42.46 98.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.967 0.889 . . . . 0.0 109.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.46 -44.18 95.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.612 -0.68 . . . . 0.0 110.727 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.68 -29.77 69.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.179 -0.95 . . . . 0.0 109.164 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.58 -40.17 96.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.97 -1.081 . . . . 0.0 111.218 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' B' ' 61' ' ' LEU . 10.5 mt -65.64 -24.92 67.15 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -81.74 -29.07 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.06 -40.0 87.92 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.34 76.55 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -50.91 -26.11 10.69 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.364 -1.895 . . . . 0.0 108.364 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 67' ' ' GLY . 34.8 p-10 -88.94 0.77 56.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.7 -0.883 . . . . 0.0 109.077 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -61.88 -150.46 0.02 OUTLIER Glycine 0 N--CA 1.48 1.601 0 N-CA-C 107.958 -2.057 . . . . 0.0 107.958 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.39 159.18 43.99 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.044 -1.268 . . . . 0.0 110.917 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.661 HG21 HD12 ' B' ' 33' ' ' LEU . 2.9 m -143.67 158.39 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.529 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 27.8 t0 -128.63 -157.79 0.84 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.431 -0.793 . . . . 0.0 109.922 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.651 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.7 p90 -60.03 -44.39 94.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.774 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.651 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.9 tt0 -78.09 -26.18 47.97 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.535 -1.353 . . . . 0.0 109.614 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -80.54 -39.9 26.95 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.262 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -77.71 -35.41 52.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.889 -1.132 . . . . 0.0 108.419 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 71' ' ' PHE . 68.9 t -71.1 -40.86 75.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.132 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.9 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.419 -0.8 . . . . 0.0 109.921 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.05 -37.9 81.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.384 0.612 . . . . 0.0 110.195 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.06 -39.94 80.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 109.229 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.546 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.0 -40.34 88.87 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.529 ' O ' HD23 ' B' ' 81' ' ' LEU . 1.9 tt -63.26 -34.7 78.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.898 -1.126 . . . . 0.0 108.94 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -60.04 -34.12 72.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.664 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.575 ' CG2' ' OE1' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -59.99 -38.55 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.33 -20.87 63.87 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 0.5 OUTLIER -141.96 60.23 1.47 Allowed 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.715 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 p30 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.539 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.968 0.413 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.913 HD21 HG13 ' B' ' 14' ' ' VAL . 3.7 mm? -74.88 -44.75 47.18 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.886 -1.134 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.62 -41.35 94.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.063 -1.023 . . . . 0.0 110.044 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.0 m -60.25 -40.37 90.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 0.0 110.363 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.13 96.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.3 -0.875 . . . . 0.0 109.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -62.05 -40.93 97.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.815 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.57 -40.14 90.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.346 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.8 m -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.396 -0.815 . . . . 0.0 110.575 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.261 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.07 -40.83 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.814 -1.179 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.39 -31.51 72.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 0.0 110.079 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.869 HG13 HD21 ' B' ' 4' ' ' LEU . 62.7 t -59.93 -49.63 83.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.654 -1.279 . . . . 0.0 110.447 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.7 m-85 -57.31 -24.44 55.04 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.03 -40.08 88.13 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.584 0.707 . . . . 0.0 109.493 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.45 -59.08 3.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.341 -0.849 . . . . 0.0 112.209 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.29 -63.03 1.37 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.73 -1.231 . . . . 0.0 111.899 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 64.6 m -72.64 -13.13 61.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.347 -0.846 . . . . 0.0 111.639 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' PHE . . . . . . . . 0 N--CA 1.489 2.221 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.512 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 27' ' ' LYS . 7.1 m-85 -52.58 171.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.725 ' HB3' HG23 ' A' ' 69' ' ' VAL . 17.7 tptp -51.88 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.389 -1.444 . . . . 0.0 108.434 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.55 -178.53 0.21 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.722 -1.236 . . . . 0.0 110.257 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -47.7 144.66 3.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.948 -1.095 . . . . 0.0 109.324 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 10.3 mtmm -60.06 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.979 -1.075 . . . . 0.0 109.988 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -55.19 -41.3 71.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.126 . . . . 0.0 110.877 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 tp10 -72.14 -34.93 68.91 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.927 -1.108 . . . . 0.0 109.12 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.746 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -60.09 -44.67 94.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.0 . . . . 0.0 110.714 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.6 tptp -69.91 -39.9 75.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.064 -1.648 . . . . 0.0 111.103 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -63.99 -39.85 95.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.649 -1.282 . . . . 0.0 109.573 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -68.13 -56.55 8.38 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.871 -0.518 . . . . 0.0 111.868 -177.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.66 -39.94 64.07 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.482 -1.386 . . . . 0.0 112.174 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -53.43 -30.79 42.24 Favored 'General case' 0 C--N 1.287 -2.138 0 O-C-N 121.077 -1.015 . . . . 0.0 108.301 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -74.66 -41.0 61.11 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.721 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -73.45 -30.73 63.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 108.805 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.2 mt -95.82 27.62 3.44 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.709 0.766 . . . . 0.0 108.983 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.83 -40.01 87.02 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.426 -0.796 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 44.2 m -59.79 -27.81 66.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.02 -1.05 . . . . 0.0 109.235 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 29.0 m-85 -63.79 -16.64 61.73 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 117.909 -1.517 . . . . 0.0 107.214 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.99 -4.2 42.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' SER . 92.2 m-20 -59.92 -39.87 86.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.674 -0.641 . . . . 0.0 109.871 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 47' ' ' VAL . 2.8 p -146.89 75.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.027 -1.046 . . . . 0.0 110.168 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.18 116.97 8.57 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 84' ' ' ALA . 20.1 mtpt -97.05 -66.66 0.89 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.826 -0.546 . . . . 0.0 110.65 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -94.46 96.09 9.27 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.661 -1.275 . . . . 0.0 109.511 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.82 61.93 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.151 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.4 -40.01 77.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.87 -52.53 42.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.252 -0.905 . . . . 0.0 109.19 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.657 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.3 t -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -60.84 -40.17 91.82 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.59 -0.694 . . . . 0.0 109.971 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.21 -38.57 88.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.093 -1.004 . . . . 0.0 109.011 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 54' ' ' VAL . 59.2 mt -59.08 -39.93 79.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.13 -0.981 . . . . 0.0 109.407 178.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.2 -40.02 92.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.173 -0.954 . . . . 0.0 110.847 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.93 -40.57 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.633 -1.292 . . . . 0.0 110.882 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -70.04 -30.22 67.45 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.156 -0.965 . . . . 0.0 111.292 -179.221 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.99 -28.92 16.11 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.962 -1.086 . . . . 0.0 111.434 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.2 -34.01 74.22 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.126 -0.984 . . . . 0.0 108.383 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -159.55 67.82 0.4 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.59 -23.1 54.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 43.2 t0 -80.37 -2.68 46.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -1.099 . . . . 0.0 109.376 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.5 0.18 Allowed Glycine 0 N--CA 1.484 1.878 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -157.72 158.48 35.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -1.13 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.725 HG23 ' HB3' ' A' ' 27' ' ' LYS . 15.6 m -129.91 147.9 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.512 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 5.8 m-20 -121.6 -171.76 2.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.409 -0.807 . . . . 0.0 109.612 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.708 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 37.7 p90 -49.39 -54.18 18.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.668 -0.645 . . . . 0.0 112.026 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.708 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.07 -27.99 65.06 Favored 'General case' 0 C--N 1.289 -2.034 0 O-C-N 120.848 -1.157 . . . . 0.0 109.865 -178.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 47.1 tt0 -81.43 -36.2 29.73 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.394 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -70.05 -34.98 73.92 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.2 -42.43 51.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 O-C-N 121.576 -0.703 . . . . 0.0 111.172 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.06 -41.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 O-C-N 121.442 -0.786 . . . . 0.0 110.705 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.95 -38.45 76.14 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.631 -0.668 . . . . 0.0 110.421 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 74' ' ' PHE . 76.5 t -70.01 -39.9 77.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 108.787 -178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -59.97 -39.89 87.18 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD1' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 tt -61.81 -40.04 93.85 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.938 -1.101 . . . . 0.0 109.303 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -60.13 -39.23 85.56 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.245 -0.909 . . . . 0.0 109.724 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -55.24 -33.89 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.978 . . . . 0.0 108.454 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.657 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.87 -22.08 63.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.583 -0.698 . . . . 0.0 109.403 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 14.3 t -144.53 62.46 1.33 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.2 p30 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 120.773 -1.204 . . . . 0.0 108.032 179.448 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.869 HD21 HG13 ' A' ' 14' ' ' VAL . 3.7 mm? -75.06 -44.79 45.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.843 -1.16 . . . . 0.0 110.053 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.74 -41.42 95.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.932 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -60.17 -40.9 91.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.063 -1.023 . . . . 0.0 110.221 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.99 94.31 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.165 -0.959 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.28 -40.53 96.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.866 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.01 -40.03 92.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.353 -0.842 . . . . 0.0 110.095 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -59.98 -40.1 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.862 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.149 -0.969 . . . . 0.0 109.165 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.01 -40.83 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.858 -1.151 . . . . 0.0 108.992 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -62.56 -31.32 72.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 0.0 110.089 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.913 HG13 HD21 ' A' ' 4' ' ' LEU . 57.7 t -60.0 -49.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.662 -1.274 . . . . 0.0 110.397 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 8.3 m-85 -57.57 -24.44 56.23 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 109.584 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.26 -59.42 2.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.277 -0.889 . . . . 0.0 112.191 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -86.56 -63.24 1.34 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.756 -1.215 . . . . 0.0 112.01 -178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 69.6 m -72.53 -13.18 61.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 111.742 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 15' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.333 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.444 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' B' ' 27' ' ' LYS . 7.3 m-85 -52.2 171.26 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.708 ' HB3' HG23 ' B' ' 69' ' ' VAL . 19.1 tptp -52.3 -89.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.362 -1.461 . . . . 0.0 108.414 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 -178.35 0.23 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.687 -1.258 . . . . 0.0 110.445 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.4 p -47.85 144.67 3.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.048 -1.033 . . . . 0.0 109.252 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 10.8 mtmm -59.97 -50.47 73.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.129 -0.982 . . . . 0.0 110.061 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -54.75 -41.29 70.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 110.996 -177.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -72.35 -34.88 68.32 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.846 -1.159 . . . . 0.0 108.939 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.74 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.3 tm? -60.04 -44.62 94.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.043 -1.036 . . . . 0.0 110.635 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.465 ' N ' HD13 ' B' ' 33' ' ' LEU . 4.0 tptp -69.88 -40.11 75.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.022 -1.674 . . . . 0.0 110.974 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.579 -1.326 . . . . 0.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.33 -56.45 8.52 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.766 -0.583 . . . . 0.0 111.944 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.52 -40.06 64.3 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.481 -1.387 . . . . 0.0 112.078 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -53.38 -30.59 40.58 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.028 -1.045 . . . . 0.0 108.196 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.0 m -74.77 -41.28 60.34 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -73.34 -30.78 63.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.0 108.759 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.3 mt -95.7 27.67 3.37 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.739 0.78 . . . . 0.0 109.005 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -59.87 -40.0 87.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.325 -0.86 . . . . 0.0 110.77 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 44.7 m -59.45 -28.33 66.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.025 -1.047 . . . . 0.0 109.242 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.55 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 29.9 m-85 -63.35 -16.97 62.05 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 118.039 -1.464 . . . . 0.0 107.341 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.85 -4.07 41.76 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' B' ' 43' ' ' SER . 92.2 m-20 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.546 -0.721 . . . . 0.0 109.874 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 47' ' ' VAL . 3.1 p -146.81 75.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.085 -1.009 . . . . 0.0 110.081 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.76 117.27 9.45 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.9 mtpt -97.26 -66.28 0.91 Allowed 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.854 -0.529 . . . . 0.0 110.684 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -94.58 95.66 8.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.827 -1.171 . . . . 0.0 109.566 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.01 -15.97 62.05 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.13 -39.95 78.58 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.515 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -67.11 -52.33 43.13 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.239 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.664 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.3 t -58.34 -35.63 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 52.8 t0 -60.76 -40.05 91.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.974 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.51 -38.41 87.15 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.039 -1.038 . . . . 0.0 109.116 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.11 -39.98 79.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.518 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.27 -31.06 69.87 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.123 -0.986 . . . . 0.0 109.405 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.3 -39.99 92.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.211 -0.931 . . . . 0.0 110.959 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.93 -40.56 75.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.67 -1.269 . . . . 0.0 110.783 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -70.02 -30.13 67.35 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.115 -0.99 . . . . 0.0 111.285 -179.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -93.04 -28.89 16.1 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.102 -0.999 . . . . 0.0 111.565 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.27 -33.94 73.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -159.7 67.67 0.39 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.06 -23.54 52.3 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 41.8 t0 -80.19 -3.18 47.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -1.08 . . . . 0.0 109.468 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -147.07 0.18 Allowed Glycine 0 N--CA 1.483 1.824 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.01 158.27 34.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -1.105 . . . . 0.0 110.8 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' B' ' 27' ' ' LYS . 14.4 m -129.41 148.15 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.491 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 5.4 m-20 -121.81 -171.59 2.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.318 -0.864 . . . . 0.0 109.485 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 37.9 p90 -49.64 -53.84 21.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.643 -0.661 . . . . 0.0 112.144 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.2 -27.8 64.78 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 120.807 -1.183 . . . . 0.0 110.003 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.491 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 43.9 tt0 -81.66 -36.06 29.21 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.392 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -69.9 -35.46 74.62 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -73.71 -42.8 54.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 121.613 -0.679 . . . . 0.0 111.256 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.93 -40.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 O-C-N 121.364 -0.835 . . . . 0.0 110.753 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.94 -39.13 76.27 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.605 -0.684 . . . . 0.0 110.34 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 74' ' ' PHE . 76.3 t -69.42 -39.87 79.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.26 -0.9 . . . . 0.0 109.003 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.94 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.57 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.0 -40.1 88.02 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.68 -40.01 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.879 -1.138 . . . . 0.0 109.356 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -60.1 -39.39 85.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 109.761 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.57 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -55.06 -33.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 0.0 108.336 -179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.664 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -69.64 -22.0 63.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.622 -0.674 . . . . 0.0 109.577 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 13.8 t -144.65 62.43 1.32 Allowed 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.4 p30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 120.658 -1.276 . . . . 0.0 108.016 179.455 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.407 0.623 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.568 HD21 ' CZ ' ' B' ' 74' ' ' PHE . 3.3 tp -72.45 -54.25 9.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.453 -0.779 . . . . 0.0 110.206 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 1.038 ' OE1' HD23 ' B' ' 41' ' ' LEU . 24.4 tp10 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.028 -1.045 . . . . 0.0 109.947 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.055 -1.028 . . . . 0.0 109.958 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 0.0 110.651 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 tpt -60.1 -42.08 93.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.914 -1.116 . . . . 0.0 110.143 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.047 -1.033 . . . . 0.0 108.482 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.99 -39.52 86.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.643 -0.661 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.94 -39.89 87.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.796 -1.19 . . . . 0.0 109.856 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.09 -44.46 98.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 120.905 -1.122 . . . . 0.0 109.968 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.28 -0.888 . . . . 0.0 111.76 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t -71.76 -37.95 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.536 -1.353 . . . . 0.0 111.146 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.16 -39.43 63.57 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 20' ' ' GLY . 55.4 m-70 -60.05 -36.54 77.53 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.83 -56.65 9.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.794 -1.192 . . . . 0.0 109.132 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.91 -49.9 11.24 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.892 -1.13 . . . . 0.0 110.192 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 m -66.4 -40.04 89.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.219 -0.925 . . . . 0.0 111.156 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 120.823 0.344 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.3 m-85 -63.4 158.03 21.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HB3' HG23 ' A' ' 69' ' ' VAL . 26.3 tptt -49.24 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.656 -1.277 . . . . 0.0 109.461 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER 176.45 -176.96 0.13 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.555 -1.34 . . . . 0.0 110.405 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -49.14 147.86 2.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.718 -1.239 . . . . 0.0 109.654 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 3.8 mtmt -59.97 -50.62 73.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.465 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.71 -47.55 63.91 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.157 -1.589 . . . . 0.0 111.099 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -68.14 -39.99 82.53 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.826 -1.171 . . . . 0.0 109.354 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.928 HD22 HG21 ' A' ' 69' ' ' VAL . 2.2 tp -48.12 -46.57 34.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.848 -1.157 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -67.2 -39.72 86.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.788 -1.195 . . . . 0.0 110.884 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.787 -1.196 . . . . 0.0 110.294 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.51 -55.88 10.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.117 -0.99 . . . . 0.0 112.112 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.82 72.01 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.504 -1.372 . . . . 0.0 112.003 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.02 -28.7 67.96 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -76.51 -40.0 51.43 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.516 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.68 -16.16 54.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.087 -1.008 . . . . 0.0 109.581 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.06 HD23 ' OE1' ' B' ' 5' ' ' GLU . 15.9 mt -108.33 32.15 5.03 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.1 m -59.96 -39.98 87.46 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.154 -0.967 . . . . 0.0 110.637 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 73.5 m -60.02 -36.97 78.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' HE2' ' OE2' ' B' ' 5' ' ' GLU . 31.6 m-85 -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.701 -1.2 . . . . 0.0 108.421 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.9 mm? -67.64 -3.43 9.01 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 43' ' ' SER . 52.8 t0 -55.86 -39.49 71.55 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 108.778 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.4 87.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.207 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.51 115.37 6.32 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.923 0.868 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 84' ' ' ALA . 21.2 mmmt -79.94 -70.0 0.55 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -100.01 102.82 14.29 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 122.127 0.965 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.93 -13.34 60.52 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.93 -39.98 75.8 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -70.61 -53.8 14.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.922 -1.111 . . . . 0.0 108.574 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.627 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.5 t -52.79 -35.69 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.73 -39.97 93.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.658 . . . . 0.0 109.416 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -41.36 99.14 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.067 0.937 . . . . 0.0 109.342 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 80' ' ' ALA . 80.4 mt -60.08 -42.7 90.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.752 . . . . 0.0 109.876 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 mmt -60.82 -23.67 65.26 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.113 -0.992 . . . . 0.0 109.199 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.52 -41.72 88.36 Favored 'General case' 0 C--O 1.198 -1.649 0 O-C-N 121.336 -0.852 . . . . 0.0 111.19 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 52.6 mp0 -69.51 -42.28 74.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.218 -1.551 . . . . 0.0 110.468 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -61.6 -39.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.564 -0.71 . . . . 0.0 110.241 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.35 -33.59 37.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.896 -1.128 . . . . 0.0 110.386 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.03 -40.07 88.06 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -152.05 61.41 0.85 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -51.46 -31.31 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.156 -1.577 . . . . 0.0 109.156 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.87 0.04 56.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -1.085 . . . . 0.0 108.948 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.45 -149.16 0.05 OUTLIER Glycine 0 N--CA 1.481 1.674 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.24 155.85 39.65 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -1.046 . . . . 0.0 109.997 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.928 HG21 HD22 ' A' ' 33' ' ' LEU . 15.3 m -137.36 156.84 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.564 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 36.9 p-10 -127.12 -159.11 0.91 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.459 -0.776 . . . . 0.0 109.69 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 28.5 p90 -59.93 -47.6 85.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.638 -0.664 . . . . 0.0 112.053 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.698 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 1.7 tm0? -70.05 -28.3 65.34 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.418 -1.426 . . . . 0.0 109.583 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.564 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 60.9 mm-40 -77.96 -40.93 37.83 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.558 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.69 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.6 t80 -68.33 -38.45 81.53 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.355 -0.84 . . . . 0.0 108.759 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.27 -41.76 74.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.01 -39.99 78.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.166 -0.959 . . . . 0.0 110.767 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.32 -32.76 66.83 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.112 -0.992 . . . . 0.0 109.801 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 74' ' ' PHE . 53.7 t -69.68 -40.83 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -0.887 . . . . 0.0 109.546 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.82 92.56 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -59.96 -40.01 87.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.3 -39.98 94.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.777 -1.202 . . . . 0.0 109.125 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 86' ' ' ASN . 45.1 m -59.97 -38.81 83.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.597 -0.689 . . . . 0.0 109.912 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.56 -38.11 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 109.211 -178.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.63 -22.18 60.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 110.44 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 91.9 m -125.11 21.21 8.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.922 . . . . 0.0 108.606 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 82' ' ' THR . 21.2 p-10 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.392 -0.817 . . . . 0.0 109.975 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.487 0.66 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 3.9 tp -72.68 -53.98 10.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.46 -0.775 . . . . 0.0 110.204 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 1.06 ' OE1' HD23 ' A' ' 41' ' ' LEU . 24.4 tp10 -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 109.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -40.01 87.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.118 -0.989 . . . . 0.0 110.044 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.1 92.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.03 -1.044 . . . . 0.0 110.715 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.6 tpt -60.51 -41.88 95.29 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.183 -0.948 . . . . 0.0 108.558 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.05 -39.29 85.47 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.739 -0.601 . . . . 0.0 110.322 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 109.855 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.91 -44.52 98.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.006 -1.059 . . . . 0.0 109.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.35 -41.12 92.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.791 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.75 -37.87 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.586 -1.321 . . . . 0.0 111.234 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.15 -39.51 63.59 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 20' ' ' GLY . 55.6 m-70 -59.94 -36.59 77.39 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.58 9.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.703 -1.248 . . . . 0.0 109.183 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -79.93 -50.03 11.04 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.823 -1.173 . . . . 0.0 110.16 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.3 m -66.43 -39.98 89.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.227 -0.921 . . . . 0.0 111.16 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.493 2.449 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' B' ' 27' ' ' LYS . 93.1 m-85 -63.57 158.23 21.71 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.604 ' HB3' HG23 ' B' ' 69' ' ' VAL . 27.0 tptt -49.37 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.632 -1.292 . . . . 0.0 109.472 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.537 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER 176.63 -176.88 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.598 -1.313 . . . . 0.0 110.416 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -49.34 147.89 2.95 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.759 -1.213 . . . . 0.0 109.678 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 4.0 mtmt -60.03 -50.38 73.96 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.071 -1.018 . . . . 0.0 111.525 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -51.84 -47.52 64.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.048 -1.658 . . . . 0.0 111.114 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -68.19 -40.01 82.31 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 109.327 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.956 HD22 HG21 ' B' ' 69' ' ' VAL . 2.9 tp -48.0 -46.76 33.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.849 -1.157 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -67.16 -39.76 86.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 110.832 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -38.42 82.43 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.809 -1.182 . . . . 0.0 110.256 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.79 -55.74 10.27 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 111.947 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -40.79 71.93 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.337 -1.477 . . . . 0.0 112.008 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.93 -28.86 67.98 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 m -76.28 -40.08 52.59 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.524 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -80.59 -16.32 54.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.093 -1.004 . . . . 0.0 109.559 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 1.038 HD23 ' OE1' ' A' ' 5' ' ' GLU . 15.5 mt -108.2 32.11 5.04 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.1 m -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.8 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 75.3 m -59.94 -36.91 78.08 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.576 ' HE2' ' OE2' ' A' ' 5' ' ' GLU . 31.7 m-85 -59.96 -40.01 87.58 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.43 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.7 mm? -67.85 -3.38 9.46 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' B' ' 43' ' ' SER . 52.9 t0 -55.82 -39.65 71.68 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.221 -0.924 . . . . 0.0 108.788 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.09 87.55 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.234 -0.916 . . . . 0.0 109.176 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.84 115.36 6.53 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.001 0.905 . . . . 0.0 109.368 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.1 mmmt -80.01 -70.04 0.55 Allowed 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -99.96 102.98 14.51 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 122.088 0.947 . . . . 0.0 109.436 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.1 -13.28 60.46 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.45 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -70.94 -53.5 14.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.882 -1.136 . . . . 0.0 108.452 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.634 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.4 t -52.89 -35.5 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.83 -40.0 93.76 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.695 -0.628 . . . . 0.0 109.478 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -41.26 99.19 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.163 -0.96 . . . . 0.0 109.359 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.414 HD11 ' HB3' ' B' ' 80' ' ' ALA . 80.1 mt -59.94 -43.03 91.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.0 mmt -60.51 -23.8 64.82 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.126 -0.984 . . . . 0.0 109.284 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -66.61 -41.56 88.23 Favored 'General case' 0 C--O 1.2 -1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 111.129 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 60' ' ' GLU . 52.2 mp0 -69.51 -42.38 74.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.173 -1.579 . . . . 0.0 110.476 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -61.44 -39.79 92.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.536 -0.728 . . . . 0.0 110.291 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.38 -33.56 37.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.8 -1.187 . . . . 0.0 110.408 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.06 -39.96 87.82 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -152.09 61.33 0.84 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -51.45 -31.17 28.06 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -87.89 -0.02 56.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -1.079 . . . . 0.0 108.996 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.51 -149.03 0.05 OUTLIER Glycine 0 N--CA 1.48 1.631 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -151.49 155.91 39.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -1.054 . . . . 0.0 109.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.956 HG21 HD22 ' B' ' 33' ' ' LEU . 14.0 m -137.3 156.93 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.565 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 37.0 p-10 -127.02 -159.05 0.91 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.462 -0.774 . . . . 0.0 109.685 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.693 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 28.5 p90 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.685 -0.634 . . . . 0.0 111.928 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.693 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 1.7 tm0? -69.91 -28.25 65.45 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.44 -1.412 . . . . 0.0 109.654 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.565 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 60.7 mm-40 -77.96 -40.78 38.28 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.608 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.681 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.8 t80 -68.42 -38.33 81.11 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.24 -42.02 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.389 -0.82 . . . . 0.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.0 77.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 O-C-N 121.203 -0.936 . . . . 0.0 110.68 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.26 -32.79 66.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.088 -1.008 . . . . 0.0 109.781 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.3 t -69.84 -40.3 78.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.565 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.59 91.59 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.497 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.95 -40.02 87.57 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.19 -40.1 94.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 86' ' ' ASN . 48.0 m -60.0 -38.96 84.17 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.678 -0.639 . . . . 0.0 109.839 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.497 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -58.38 -38.05 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.147 -0.97 . . . . 0.0 109.284 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.634 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -72.79 -22.24 60.86 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 110.467 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 89.8 m -124.98 21.28 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 108.528 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' B' ' 82' ' ' THR . 21.6 p-10 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.442 -0.786 . . . . 0.0 110.017 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.553 ' HB2' HG13 ' B' ' 14' ' ' VAL . 48.3 mt-10 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.39 0.614 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.746 ' HG ' HG11 ' B' ' 14' ' ' VAL . 59.3 mt -66.9 -39.91 87.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.382 -0.824 . . . . 0.0 109.795 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 0.0 109.908 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.16 -39.99 88.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.16 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.691 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.24 -40.82 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.039 -1.038 . . . . 0.0 110.431 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.114 -0.991 . . . . 0.0 109.427 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -67.2 -40.0 86.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.436 -0.79 . . . . 0.0 110.558 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 99.7 mt -60.18 -40.09 88.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.93 -42.68 97.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.856 -1.152 . . . . 0.0 109.982 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.51 -42.35 98.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.19 -0.943 . . . . 0.0 111.822 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.703 HG11 ' HG ' ' B' ' 4' ' ' LEU . 25.1 t -70.79 -35.76 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.756 -1.215 . . . . 0.0 111.265 -178.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 6.7 m-30 -59.25 -37.41 77.52 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.8 t60 -60.01 -39.92 87.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.832 -0.542 . . . . 0.0 109.799 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.48 10.2 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.899 -1.125 . . . . 0.0 109.865 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -74.74 -40.03 61.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.703 -1.248 . . . . 0.0 110.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -69.33 -39.66 78.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.16 -0.962 . . . . 0.0 110.196 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mptt . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.94 169.55 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.92 -1.112 . . . . 0.0 108.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HZ1' HD23 ' A' ' 36' ' ' LEU . 13.1 tptt -52.99 -85.36 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.731 -1.23 . . . . 0.0 108.453 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 177.26 -175.14 0.14 Allowed 'General case' 0 N--CA 1.512 2.635 0 O-C-N 121.095 -1.003 . . . . 0.0 110.751 178.274 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -56.71 148.54 19.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.982 -1.073 . . . . 0.0 110.903 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' HD22 ' A' ' 64' ' ' ASN . 1.5 mmmm -60.0 -41.66 92.56 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.869 -0.519 . . . . 0.0 111.687 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -60.93 -54.45 44.92 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 119.611 -1.931 . . . . 0.0 110.268 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' LEU . 51.2 tp10 -64.34 -40.0 95.0 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.281 -0.967 . . . . 0.0 108.718 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.013 HD22 HG21 ' A' ' 69' ' ' VAL . 53.9 tp -44.98 -44.62 10.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.967 -1.083 . . . . 0.0 108.253 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.71 ' HB2' HD13 ' A' ' 61' ' ' LEU . 15.6 tptt -60.01 -39.7 86.73 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 120.057 -0.657 . . . . 0.0 109.852 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.03 -34.68 73.71 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.744 -1.223 . . . . 0.0 108.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD23 ' HZ1' ' A' ' 27' ' ' LYS . 9.9 mp -69.99 -56.39 7.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 110.845 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.94 -49.21 78.57 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.872 -1.142 . . . . 0.0 110.682 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.0 -21.33 44.31 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-O 121.443 0.64 . . . . 0.0 109.374 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.99 -32.68 15.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -81.97 -6.17 58.91 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.839 -1.163 . . . . 0.0 109.907 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 27.4 mt -115.15 48.63 1.14 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.988 -1.07 . . . . 0.0 108.3 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 22.6 t -53.36 -40.09 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.056 -1.027 . . . . 0.0 109.927 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.523 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 78.7 p -60.04 -13.06 9.72 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.687 -1.258 . . . . 0.0 108.066 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 80.3 t80 -47.13 -54.01 11.54 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 120.863 -1.148 . . . . 0.0 110.189 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -65.27 -6.05 8.71 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.888 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.693 ' OD1' HG22 ' A' ' 47' ' ' VAL . 4.5 p-10 -60.76 -41.12 94.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.693 HG22 ' OD1' ' A' ' 46' ' ' ASP . 17.2 m -161.63 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.536 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.79 118.26 9.39 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.204 -1.56 . . . . 0.0 108.209 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 84' ' ' ALA . 3.7 mtmp? -89.14 -72.62 0.54 Allowed 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.744 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.04 91.14 7.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.074 -1.016 . . . . 0.0 109.644 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -16.93 63.35 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.94 -40.06 75.71 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.48 54.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.685 HG23 ' CB ' ' A' ' 84' ' ' ALA . 2.9 t -57.13 -36.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.1 -39.97 88.03 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.536 -0.727 . . . . 0.0 109.875 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.22 -39.99 89.97 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.918 0.866 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.557 HG23 HD11 ' A' ' 77' ' ' LEU . 80.5 mt -61.03 -43.24 95.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.84 -0.537 . . . . 0.0 111.279 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.514 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.7 ttm -66.84 -26.1 66.75 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.093 -1.005 . . . . 0.0 109.056 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -63.28 -40.0 96.17 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.409 -0.807 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.42 -39.92 74.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.711 -1.243 . . . . 0.0 110.539 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 34' ' ' LYS . 11.8 mt -69.13 -23.97 64.04 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.54 -0.725 . . . . 0.0 109.413 -178.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.74 -36.21 16.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.896 -1.128 . . . . 0.0 109.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.515 0.674 . . . . 0.0 109.475 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.58 HD22 ' NZ ' ' A' ' 30' ' ' LYS . 56.3 t30 -127.83 29.1 5.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.7 -28.71 16.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -86.98 0.14 55.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -1.057 . . . . 0.0 109.795 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.8 -158.27 8.64 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.36 165.23 28.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.63 -0.923 . . . . 0.0 109.819 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.013 HG21 HD22 ' A' ' 33' ' ' LEU . 2.6 m -141.15 155.86 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.549 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 10.9 p-10 -129.1 -158.05 0.86 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.8 p90 -59.99 -44.03 94.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.439 -0.788 . . . . 0.0 111.865 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.718 ' NE2' ' HB ' ' B' ' 83' ' ' VAL . 37.1 tt0 -70.61 -29.01 65.28 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.178 -1.576 . . . . 0.0 109.245 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 75.8 mm-40 -81.7 -40.06 23.34 Favored 'General case' 0 C--N 1.284 -2.239 0 C-N-CA 119.664 -0.815 . . . . 0.0 109.665 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 78' ' ' VAL . 8.1 t80 -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.819 0.819 . . . . 0.0 108.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG11 ' HB2' ' B' ' 79' ' ' ALA . 54.8 t -74.38 -42.53 50.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.239 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' GLN . 85.9 t -70.86 -40.03 76.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.261 -0.9 . . . . 0.0 110.611 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 57' ' ' ILE . 11.5 tp -73.38 -34.91 65.81 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.428 -0.795 . . . . 0.0 110.113 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 74' ' ' PHE . 77.9 t -70.06 -39.98 77.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 109.074 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.69 -38.36 90.83 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.56 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.09 -39.99 88.05 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD21 ' HZ1' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -60.41 -43.09 97.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.048 -1.032 . . . . 0.0 108.812 179.523 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -60.02 -34.25 73.11 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.84 -1.163 . . . . 0.0 110.047 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.712 ' HB ' ' NE2' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -53.52 -38.18 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.862 -1.149 . . . . 0.0 108.208 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.685 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.99 -22.67 63.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.5 t -137.92 58.37 1.69 Allowed 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.557 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 63.2 t30 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.56 ' HB2' HG13 ' A' ' 14' ' ' VAL . 48.5 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.347 0.594 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.703 ' HG ' HG11 ' A' ' 14' ' ' VAL . 63.2 mt -66.95 -39.92 87.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.408 -0.807 . . . . 0.0 109.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.0 -40.08 88.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.199 -0.938 . . . . 0.0 110.051 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 110.24 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.17 92.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.272 -0.892 . . . . 0.0 110.707 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.31 -40.72 95.26 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.114 -0.991 . . . . 0.0 110.292 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -39.99 87.87 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.099 -1.0 . . . . 0.0 109.454 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -67.48 -39.95 85.24 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.368 -0.832 . . . . 0.0 110.405 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 98.6 mt -60.08 -40.07 88.28 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.848 -1.157 . . . . 0.0 110.835 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -62.86 -42.59 97.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.87 -1.144 . . . . 0.0 109.982 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.61 -42.31 98.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.235 -0.915 . . . . 0.0 111.861 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.746 HG11 ' HG ' ' A' ' 4' ' ' LEU . 29.0 t -70.84 -35.78 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.693 -1.254 . . . . 0.0 111.2 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.447 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 6.7 m-30 -59.29 -37.4 77.6 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 20' ' ' GLY . 85.8 t60 -60.02 -40.02 87.87 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.195 0.521 . . . . 0.0 109.718 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.28 10.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.9 -1.125 . . . . 0.0 109.861 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.86 -40.02 61.23 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.709 -1.244 . . . . 0.0 110.154 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 12.0 m -69.68 -39.13 77.17 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.03 . . . . 0.0 110.238 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mptt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -49.91 169.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.928 -1.108 . . . . 0.0 108.459 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.474 ' HZ2' ' CD2' ' B' ' 36' ' ' LEU . 13.5 tptt -53.02 -85.45 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.786 -1.196 . . . . 0.0 108.41 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.586 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.35 -175.03 0.14 Allowed 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.94 -1.1 . . . . 0.0 110.769 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.5 p -56.58 148.48 19.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.015 -1.053 . . . . 0.0 110.974 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.588 ' NZ ' HD22 ' B' ' 64' ' ' ASN . 1.5 mmmm -60.09 -41.4 92.41 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.796 -0.565 . . . . 0.0 111.781 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -61.09 -54.13 48.5 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.579 -1.95 . . . . 0.0 110.29 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.9 tp10 -64.58 -40.01 94.77 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.669 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 1.023 HD22 HG21 ' B' ' 69' ' ' VAL . 54.3 tp -45.12 -44.42 10.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.718 ' HB2' HD13 ' B' ' 61' ' ' LEU . 15.3 tptt -60.06 -39.82 87.33 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.876 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.01 -34.53 73.46 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.724 -1.235 . . . . 0.0 108.771 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HZ2' ' B' ' 27' ' ' LYS . 10.0 mp -70.04 -56.44 6.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.836 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.664 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.02 -49.25 78.42 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.936 -1.103 . . . . 0.0 110.654 -178.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -57.95 -21.56 44.7 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 121.439 0.638 . . . . 0.0 109.321 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.8 -32.47 15.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.347 -0.845 . . . . 0.0 110.635 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.15 -6.16 58.98 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.854 -1.154 . . . . 0.0 109.907 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 33.5 mt -115.09 48.32 1.18 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.897 -1.127 . . . . 0.0 108.245 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 26.4 t -53.16 -40.15 64.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.06 -1.025 . . . . 0.0 109.921 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.516 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 79.4 p -60.02 -13.02 9.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.624 -1.298 . . . . 0.0 108.035 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 80.2 t80 -47.1 -54.28 10.84 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.992 -1.068 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' B' ' 42' ' ' SER . 1.1 pt? -65.01 -5.89 7.32 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.994 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.686 ' OD1' HG22 ' B' ' 47' ' ' VAL . 4.6 p-10 -61.12 -40.73 94.87 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.215 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.686 HG22 ' OD1' ' B' ' 46' ' ' ASP . 16.9 m -161.86 68.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.538 -0.726 . . . . 0.0 110.765 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -65.8 118.05 9.1 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.15 -1.594 . . . . 0.0 108.205 179.183 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ALA . 3.2 mtmp? -89.24 -71.97 0.58 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.803 -0.561 . . . . 0.0 109.823 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.04 90.95 7.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.005 -1.06 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.96 -40.04 75.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -53.43 54.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.698 HG23 ' CB ' ' B' ' 84' ' ' ALA . 3.0 t -56.95 -37.0 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.93 -40.04 87.53 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.912 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.27 -40.05 89.85 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.848 0.833 . . . . 0.0 109.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.541 HG23 HD11 ' B' ' 77' ' ' LEU . 81.5 mt -60.94 -43.47 95.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.914 -0.491 . . . . 0.0 111.323 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.515 ' HA ' HD12 ' B' ' 61' ' ' LEU . 5.9 ttm -66.4 -26.63 67.33 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.215 -0.928 . . . . 0.0 109.025 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -63.05 -40.06 96.59 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.428 -0.795 . . . . 0.0 110.715 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.22 -40.01 74.77 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.759 -1.213 . . . . 0.0 110.509 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' B' ' 34' ' ' LYS . 12.9 mt -69.11 -24.02 64.07 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.638 0.733 . . . . 0.0 109.457 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.17 -36.02 15.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.763 -1.211 . . . . 0.0 109.416 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 63' ' ' GLU . 0.3 OUTLIER -82.74 -27.36 31.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.426 0.631 . . . . 0.0 109.411 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.588 HD22 ' NZ ' ' B' ' 30' ' ' LYS . 56.1 t30 -127.6 29.24 5.53 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.95 -28.56 17.52 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -86.96 0.33 55.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -1.074 . . . . 0.0 109.857 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -158.26 8.59 Favored Glycine 0 N--CA 1.479 1.556 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.63 164.9 29.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.671 -0.899 . . . . 0.0 109.792 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 1.023 HG21 HD22 ' B' ' 33' ' ' LEU . 2.7 m -140.91 156.0 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.401 -0.812 . . . . 0.0 109.431 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.549 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 10.8 p-10 -129.02 -158.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.02 -43.96 94.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.348 -0.845 . . . . 0.0 111.851 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.712 ' NE2' ' HB ' ' A' ' 83' ' ' VAL . 37.0 tt0 -70.82 -28.71 64.82 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.087 -1.633 . . . . 0.0 109.22 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 76.2 mm-40 -81.92 -40.01 22.93 Favored 'General case' 0 C--N 1.284 -2.262 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.6 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.739 ' O ' HG23 ' B' ' 78' ' ' VAL . 8.2 t80 -69.99 -39.62 75.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 79' ' ' ALA . 55.5 t -74.12 -42.83 51.84 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 O-C-N 121.062 -1.024 . . . . 0.0 111.208 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 72' ' ' GLN . 86.1 t -70.68 -40.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 O-C-N 121.241 -0.912 . . . . 0.0 110.672 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.541 HD11 HG23 ' B' ' 57' ' ' ILE . 11.2 tp -73.26 -35.09 66.14 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.355 -0.841 . . . . 0.0 110.184 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 74' ' ' PHE . 79.6 t -69.97 -40.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.033 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -63.41 -38.63 91.88 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.565 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.99 -40.03 87.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.519 HD22 HG22 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -60.41 -42.99 97.14 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.011 -1.056 . . . . 0.0 108.892 179.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -60.03 -34.49 73.44 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.822 -1.174 . . . . 0.0 110.036 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.718 ' HB ' ' NE2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -53.33 -38.0 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.794 -1.191 . . . . 0.0 108.14 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.698 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -70.06 -22.76 63.04 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.357 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.3 t -137.84 58.07 1.7 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.562 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 63.6 t30 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 43.4 mp0 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.07 0.462 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.55 -40.21 70.15 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.935 -1.103 . . . . 0.0 111.866 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.81 -39.93 93.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.491 -1.381 . . . . 0.0 109.943 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -61.55 -40.2 93.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.436 -0.79 . . . . 0.0 111.28 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.15 75.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.076 -1.015 . . . . 0.0 111.042 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.91 -43.55 98.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.849 -1.157 . . . . 0.0 109.853 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.15 -39.72 87.36 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.221 -0.924 . . . . 0.0 109.022 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.576 -0.702 . . . . 0.0 110.066 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -39.94 87.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.968 -1.082 . . . . 0.0 110.497 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.8 -44.54 98.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.823 -1.173 . . . . 0.0 110.142 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 50.8 t-20 -60.13 -41.5 92.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.002 -1.061 . . . . 0.0 111.183 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.63 -37.61 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.771 -1.205 . . . . 0.0 111.032 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.7 m-30 -55.85 -35.97 67.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 65.5 t60 -60.04 -38.2 82.05 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -57.52 9.26 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.614 -1.304 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -80.12 -48.44 13.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.924 -1.11 . . . . 0.0 110.313 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PHE . 51.9 p -69.9 -35.85 74.94 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.271 -0.893 . . . . 0.0 111.17 -178.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.513 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -53.4 155.12 3.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 47.7 tptt -52.06 -82.77 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.672 -1.267 . . . . 0.0 109.029 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.563 ' O ' HG22 ' A' ' 69' ' ' VAL . 14.8 tp -174.01 -179.33 1.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.262 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 t -65.89 150.59 48.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.482 -1.386 . . . . 0.0 110.946 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 13.4 mmtp -54.27 -47.6 72.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.672 -0.643 . . . . 0.0 110.449 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' GLY . 44.7 tptt -60.02 -43.4 95.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.307 -1.495 . . . . 0.0 111.079 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -84.19 -24.66 30.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.598 -1.314 . . . . 0.0 108.561 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.97 HD22 HG21 ' A' ' 69' ' ' VAL . 55.6 tp -51.37 -51.22 56.52 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -72.58 -33.71 66.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.913 -1.117 . . . . 0.0 111.519 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.88 -40.16 87.73 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.225 -1.547 . . . . 0.0 110.879 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.44 -55.5 6.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 112.981 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.03 -36.39 75.02 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.402 -1.436 . . . . 0.0 111.199 -176.703 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -59.13 -31.56 69.05 Favored 'General case' 0 C--N 1.285 -2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 108.434 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -74.96 -42.36 57.78 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.979 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -31.92 71.99 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.4 mt -98.34 33.75 2.14 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 109.526 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.6 m -59.97 -40.05 87.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 75.7 m -63.7 -30.89 71.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.234 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.488 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.8 m-85 -60.04 -38.03 81.56 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -63.02 -3.04 1.44 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.41 -0.806 . . . . 0.0 108.861 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 43' ' ' SER . 88.5 m-20 -57.56 -40.16 78.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.053 -1.03 . . . . 0.0 108.67 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.0 p -138.21 95.97 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.488 -0.757 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.76 106.13 2.55 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 108.292 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.0 mmmp? -80.07 -70.26 0.53 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.617 -0.677 . . . . 0.0 109.418 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -102.32 100.55 10.72 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.92 -18.38 60.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.203 -0.935 . . . . 0.0 109.469 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -70.09 -39.94 75.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.62 -0.675 . . . . 0.0 109.447 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.19 -54.79 20.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.894 -1.129 . . . . 0.0 108.377 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.568 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.2 t -55.54 -34.83 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.97 -40.0 87.55 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.435 -0.791 . . . . 0.0 109.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.72 -40.09 94.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.04 -1.037 . . . . 0.0 109.902 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.4 mp -59.98 -41.32 85.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 108.783 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -62.7 -26.21 68.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.398 -0.813 . . . . 0.0 109.085 179.042 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.02 -40.14 95.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.124 -0.985 . . . . 0.0 110.949 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.54 -40.07 61.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.355 -1.466 . . . . 0.0 110.405 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 9.4 mt -67.91 -26.28 65.91 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.704 -0.622 . . . . 0.0 110.902 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -93.2 -37.83 11.88 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.035 -1.041 . . . . 0.0 110.042 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -30.78 68.11 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.448 -0.782 . . . . 0.0 108.899 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -154.72 67.19 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -62.92 -22.54 64.71 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 51.5 t0 -88.7 5.77 41.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.08 -1.247 . . . . 0.0 109.638 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.14 -151.02 0.13 Allowed Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.47 154.28 36.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.477 -1.013 . . . . 0.0 109.944 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.97 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -140.05 156.44 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.578 -0.701 . . . . 0.0 109.742 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 44.4 p-10 -125.27 -158.71 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.2 p90 -60.0 -45.38 92.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 112.181 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.674 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.0 tt0 -69.78 -27.79 65.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.313 -1.492 . . . . 0.0 108.943 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 61.3 mm-40 -79.28 -41.89 27.06 Favored 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.194 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.7 t80 -69.59 -38.04 77.16 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.347 -0.845 . . . . 0.0 108.81 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.65 HG11 ' HB2' ' B' ' 79' ' ' ALA . 51.3 t -73.85 -42.37 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.57 -0.706 . . . . 0.0 110.9 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.19 -40.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.156 -0.965 . . . . 0.0 110.794 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.94 -33.91 66.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 68.0 t -71.93 -40.25 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.031 -1.043 . . . . 0.0 109.813 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.656 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.02 92.77 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.708 0.765 . . . . 0.0 109.141 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.75 -40.11 93.96 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.638 -1.289 . . . . 0.0 108.468 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -50.95 -34.98 31.07 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.443 HG21 ' CD ' ' B' ' 72' ' ' GLN . 54.5 t -60.17 -41.81 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.618 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -70.03 -20.65 63.25 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.839 -0.538 . . . . 0.0 110.138 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 44' ' ' PHE . 35.1 m -141.27 59.33 1.52 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.535 ' ND2' ' CZ ' ' B' ' 71' ' ' PHE . 29.0 m120 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 43.1 mp0 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.58 -40.59 69.81 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.888 -1.133 . . . . 0.0 111.773 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.38 -40.08 93.04 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.513 -1.367 . . . . 0.0 109.993 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.7 m -61.86 -40.05 93.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 111.225 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.39 76.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.134 -0.979 . . . . 0.0 111.068 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.5 tpt -61.9 -43.72 98.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.972 -1.08 . . . . 0.0 109.956 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -39.7 86.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -0.882 . . . . 0.0 108.956 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -60.02 -39.93 87.55 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.684 -0.635 . . . . 0.0 110.032 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.91 -40.0 87.35 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.007 -1.058 . . . . 0.0 110.471 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.92 -44.12 98.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 120.656 -1.277 . . . . 0.0 110.177 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' B' ' 13' ' ' ASN . 51.3 t-20 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.956 -1.09 . . . . 0.0 111.04 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.05 -38.24 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.756 -1.215 . . . . 0.0 111.083 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.6 -36.04 66.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' B' ' 20' ' ' GLY . 64.2 t60 -59.87 -38.4 82.07 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.81 -57.8 8.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.726 -1.234 . . . . 0.0 109.236 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -79.93 -48.49 13.33 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.835 -1.165 . . . . 0.0 110.224 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.8 p -69.95 -36.04 74.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.332 -0.855 . . . . 0.0 111.217 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.494 2.542 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -53.43 155.15 3.03 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.757 -1.215 . . . . 0.0 107.933 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.485 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 48.3 tptt -52.25 -82.76 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.067 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.568 ' O ' HG22 ' B' ' 69' ' ' VAL . 14.8 tp -173.92 -179.46 1.73 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.161 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.431 ' H ' ' HG ' ' B' ' 28' ' ' LEU . 10.4 t -65.58 150.6 48.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.453 -1.404 . . . . 0.0 110.991 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' B' ' 61' ' ' LEU . 13.3 mmtp -54.26 -47.59 72.11 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.725 -0.609 . . . . 0.0 110.408 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' B' ' 65' ' ' GLY . 45.1 tptt -59.97 -43.45 95.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.294 -1.504 . . . . 0.0 111.179 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -84.3 -24.45 29.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.584 -1.323 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.995 HD22 HG21 ' B' ' 69' ' ' VAL . 55.8 tp -51.61 -51.06 58.62 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -72.8 -33.6 66.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 111.567 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.199 -1.563 . . . . 0.0 110.835 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.56 -55.37 6.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.082 -1.012 . . . . 0.0 112.978 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.642 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -69.91 -36.7 75.6 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.369 -1.457 . . . . 0.0 111.34 -176.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -58.87 -31.69 68.79 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.945 -1.097 . . . . 0.0 108.328 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.1 m -74.86 -42.17 58.41 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.057 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -32.23 72.3 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -97.87 33.81 2.03 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.521 -0.737 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.041 -1.037 . . . . 0.0 110.95 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.9 m -63.94 -30.83 71.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 109.322 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 m-85 -59.96 -38.21 81.83 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -62.96 -2.75 1.31 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.481 -0.762 . . . . 0.0 108.971 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' B' ' 44' ' ' PHE . 88.0 m-20 -58.05 -40.01 79.85 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.98 -1.075 . . . . 0.0 108.569 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.555 ' O ' HG13 ' B' ' 47' ' ' VAL . 4.6 p -138.39 96.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.422 -0.799 . . . . 0.0 110.272 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -68.99 106.29 2.71 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.933 -1.105 . . . . 0.0 108.156 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.1 mmmp? -79.98 -70.74 0.49 Allowed 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.86 100.63 10.97 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -0.912 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.15 60.84 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.481 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -69.99 -39.93 75.62 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.483 0.659 . . . . 0.0 109.53 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -54.56 22.67 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.883 -1.135 . . . . 0.0 108.387 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.566 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.2 t -55.72 -34.89 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -59.86 -40.04 87.25 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 121.51 -0.744 . . . . 0.0 109.371 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.63 -40.12 94.92 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.047 . . . . 0.0 109.888 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' B' ' 57' ' ' ILE . 1.4 mp -59.91 -41.29 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.89 . . . . 0.0 108.803 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -62.77 -26.12 68.55 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.035 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.0 -40.09 95.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.131 -0.98 . . . . 0.0 110.9 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.82 -40.0 61.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.357 -1.464 . . . . 0.0 110.438 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' B' ' 30' ' ' LYS . 9.4 mt -67.76 -26.64 66.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.655 -0.653 . . . . 0.0 110.886 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -92.92 -37.68 12.11 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.041 -1.037 . . . . 0.0 110.163 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -30.94 68.39 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 108.936 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -154.81 67.18 0.68 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.471 -0.768 . . . . 0.0 109.13 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -62.83 -22.55 64.53 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 49.7 t0 -88.56 5.24 43.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.636 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.55 -151.14 0.1 Allowed Glycine 0 N--CA 1.482 1.719 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.46 154.56 36.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.033 . . . . 0.0 109.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.995 HG21 HD22 ' B' ' 33' ' ' LEU . 2.9 m -140.4 156.69 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 109.714 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.522 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 44.8 p-10 -125.41 -158.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.366 -0.834 . . . . 0.0 112.053 -178.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.678 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 8.5 tt0 -69.55 -28.24 65.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.281 -1.512 . . . . 0.0 108.927 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.522 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 61.0 mm-40 -79.06 -41.52 28.59 Favored 'General case' 0 C--N 1.281 -2.384 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.239 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.546 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.7 t80 -69.88 -37.76 76.16 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.388 -0.82 . . . . 0.0 108.804 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 79' ' ' ALA . 46.1 t -74.43 -41.85 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.462 -0.774 . . . . 0.0 110.975 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.7 t -70.75 -40.05 76.35 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 O-C-N 121.264 -0.898 . . . . 0.0 110.884 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -73.4 -33.98 65.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.056 -1.027 . . . . 0.0 110.104 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 74' ' ' PHE . 71.7 t -71.8 -40.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.109 -0.995 . . . . 0.0 109.799 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.65 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.33 -37.15 84.7 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.72 0.771 . . . . 0.0 109.111 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.74 -39.92 93.27 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.571 -1.331 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -51.34 -34.7 34.95 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.447 HG21 ' CD ' ' A' ' 72' ' ' GLN . 54.5 t -60.15 -42.37 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.332 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' B' ' 44' ' ' PHE . 34.8 m -141.26 59.24 1.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 28.8 m120 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.811 0.339 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.23 -42.07 72.72 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -61.74 -40.2 94.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.056 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -40.04 88.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.316 -0.865 . . . . 0.0 109.246 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.11 85.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.577 -0.702 . . . . 0.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.95 -1.094 . . . . 0.0 110.271 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.06 -40.31 89.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.978 -1.076 . . . . 0.0 110.373 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -62.15 -40.05 94.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 110.663 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 93.7 mt -59.98 -39.73 86.69 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.044 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.18 -43.92 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.914 -1.117 . . . . 0.0 110.219 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.06 -40.07 88.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.996 -1.065 . . . . 0.0 110.939 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 6.1 t -69.24 -31.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 120.273 -1.517 . . . . 0.0 110.413 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.8 m-30 -54.61 -37.74 65.94 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 30.9 m-70 -59.46 -33.39 71.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -53.06 -56.44 16.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.881 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.06 -0.21 42.34 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 120.846 -1.159 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.3 m -135.62 -2.92 2.38 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.801 -1.187 . . . . 0.0 110.658 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.355 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.325 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.62 161.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.992 -1.067 . . . . 0.0 109.137 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' HG23 ' A' ' 69' ' ' VAL . 18.9 tptp -50.78 -85.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.985 -1.072 . . . . 0.0 108.584 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.673 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 173.0 -175.32 0.06 Allowed 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.179 -0.95 . . . . 0.0 110.393 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 p -46.66 146.28 1.6 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.225 -1.547 . . . . 0.0 110.157 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HG2' HG13 ' A' ' 69' ' ' VAL . 36.2 mtpt -60.04 -50.09 75.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.383 -0.823 . . . . 0.0 111.598 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.637 -1.29 . . . . 0.0 110.605 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -71.72 -32.5 67.83 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.811 -1.156 . . . . 0.0 109.437 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.844 HD12 ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.04 -44.3 94.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.599 -1.313 . . . . 0.0 108.756 178.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -40.46 75.75 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.866 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.59 -40.14 94.98 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.118 -1.614 . . . . 0.0 109.849 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.53 -52.23 65.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.42 -0.8 . . . . 0.0 110.592 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.04 -39.76 68.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.998 -1.064 . . . . 0.0 111.919 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -22.5 66.92 Favored 'General case' 0 C--N 1.288 -2.104 0 O-C-N 120.63 -1.294 . . . . 0.0 108.31 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -72.33 -39.96 67.79 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.952 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -90.99 -7.22 52.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.297 -0.877 . . . . 0.0 110.198 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -104.77 42.22 1.24 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m -59.96 -40.04 87.7 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.285 -0.885 . . . . 0.0 110.137 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.3 p -58.43 -24.21 59.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.404 -0.81 . . . . 0.0 110.147 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.01 -23.65 63.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.593 -1.317 . . . . 0.0 107.483 179.528 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -78.07 -9.13 59.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.88 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 109.962 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 47' ' ' VAL . 2.6 p -157.07 82.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.983 -1.073 . . . . 0.0 110.717 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.71 17.88 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.925 -1.109 . . . . 0.0 108.418 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' ALA . 28.3 mtpt -103.94 -50.46 3.38 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.661 -0.649 . . . . 0.0 110.234 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -102.34 102.39 12.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.177 -0.952 . . . . 0.0 110.81 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -18.79 57.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.552 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -71.58 -40.06 70.16 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.719 -0.613 . . . . 0.0 109.432 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.36 66.78 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.301 -0.874 . . . . 0.0 109.156 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 58' ' ' MET . 61.1 t -59.66 -39.95 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.0 -40.06 92.09 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 37.2 ttpt -65.95 -41.64 91.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.158 -0.964 . . . . 0.0 109.807 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.48 -41.67 88.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.528 -0.732 . . . . 0.0 110.111 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.8 -28.51 68.82 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.61 -39.81 92.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.313 -0.867 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 44.4 mp0 -69.98 -36.36 75.14 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.698 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 10.1 mt -75.71 -24.42 56.21 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.9 -1.125 . . . . 0.0 110.239 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -92.84 -29.35 16.0 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.856 -1.153 . . . . 0.0 110.846 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 22.0 pt-20 -69.71 -34.31 73.71 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.171 -0.956 . . . . 0.0 108.547 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 63' ' ' GLU . 31.1 m120 -151.13 54.36 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.06 -29.46 14.82 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -87.05 0.39 55.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.58 -0.953 . . . . 0.0 109.338 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.44 -153.5 3.27 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -142.53 159.56 42.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.467 -1.019 . . . . 0.0 110.624 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.678 HG23 ' HB3' ' A' ' 27' ' ' LYS . 2.7 m -130.94 159.88 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.529 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 32.1 t0 -127.27 -160.28 0.99 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -62.25 -45.18 94.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 0.0 111.23 -178.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 61.8 tt0 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.737 -1.227 . . . . 0.0 109.903 -178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.5 mt-10 -80.62 -39.93 26.57 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.71 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -70.24 -38.67 75.22 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.035 -1.041 . . . . 0.0 108.759 179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.406 HG23 ' CD2' ' A' ' 74' ' ' PHE . 53.4 t -73.84 -40.18 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.382 -0.823 . . . . 0.0 110.778 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.5 t -70.78 -41.51 77.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.483 -0.761 . . . . 0.0 111.122 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.59 -35.75 70.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.4 t -69.93 -40.1 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.116 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.26 84.93 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.871 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -64.18 -34.02 77.13 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 54.8 tp -68.24 -40.06 82.11 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 109.805 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 85' ' ' CYS . 4.1 m -63.99 -36.83 85.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.602 -1.311 . . . . 0.0 109.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.871 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.7 p -50.98 -30.39 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -59.98 -37.59 80.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' THR . 30.2 t -140.18 58.33 1.59 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' THR . 64.8 t30 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.806 0.336 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.93 -42.27 73.5 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.845 -1.159 . . . . 0.0 109.702 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.67 -40.25 94.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.137 -0.977 . . . . 0.0 110.121 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 87.4 m -60.16 -39.91 88.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.276 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.14 85.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.608 -0.682 . . . . 0.0 110.536 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -49.01 79.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.994 -1.067 . . . . 0.0 110.293 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.11 -40.46 89.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.903 -1.123 . . . . 0.0 110.471 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -62.39 -39.84 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.752 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.1 mt -59.99 -39.89 87.29 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.138 -0.976 . . . . 0.0 109.922 -179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.03 -43.79 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.835 -1.166 . . . . 0.0 110.313 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.909 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 5.9 t -69.64 -31.83 50.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.9 m-30 -54.5 -37.96 65.92 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' B' ' 20' ' ' GLY . 30.3 m-70 -59.21 -33.56 71.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -52.97 -56.42 16.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.295 -0.878 . . . . 0.0 109.891 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.01 -0.32 42.27 Favored 'General case' 0 N--CA 1.511 2.577 0 O-C-N 120.81 -1.181 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.418 ' N ' ' O ' ' B' ' 15' ' ' PHE . 4.2 m -135.56 -2.96 2.39 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.773 -1.205 . . . . 0.0 110.651 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.367 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.296 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -48.43 161.34 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.04 -1.038 . . . . 0.0 109.176 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.703 ' HB3' HG23 ' B' ' 69' ' ' VAL . 19.3 tptp -50.94 -85.09 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.991 -1.068 . . . . 0.0 108.614 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.674 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 172.77 -175.4 0.05 Allowed 'General case' 0 N--CA 1.51 2.569 0 O-C-N 121.159 -0.963 . . . . 0.0 110.352 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -46.7 146.39 1.58 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.181 -1.574 . . . . 0.0 110.048 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' B' ' 69' ' ' VAL . 35.7 mtpt -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.498 -0.751 . . . . 0.0 111.63 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -60.03 -40.58 89.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.568 -1.332 . . . . 0.0 110.598 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -71.81 -32.49 67.64 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.362 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.855 ' O ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -60.15 -44.38 95.03 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.643 -1.285 . . . . 0.0 108.836 178.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.418 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 0.2 OUTLIER -69.84 -40.52 75.79 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.637 -177.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.62 -40.0 94.72 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.136 -1.602 . . . . 0.0 109.859 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.7 -52.19 65.32 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.549 -0.719 . . . . 0.0 110.472 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.96 -39.87 69.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.975 -1.078 . . . . 0.0 111.923 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -22.09 66.69 Favored 'General case' 0 C--N 1.287 -2.14 0 O-C-N 120.672 -1.267 . . . . 0.0 108.405 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -72.63 -40.02 66.77 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.926 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -91.11 -7.48 51.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.355 -0.84 . . . . 0.0 110.267 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 93.8 mt -104.54 42.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.0 m -60.19 -39.7 87.44 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.129 -0.982 . . . . 0.0 109.992 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -58.51 -24.35 60.31 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 110.033 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.04 -23.43 63.73 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.547 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.23 -9.04 59.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.93 -40.05 87.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.303 -0.873 . . . . 0.0 109.966 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 47' ' ' VAL . 2.6 p -157.17 82.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 110.764 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.28 17.05 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.009 -1.057 . . . . 0.0 108.435 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' B' ' 84' ' ' ALA . 26.0 mtpt -103.64 -50.53 3.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.674 -0.641 . . . . 0.0 110.209 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -102.03 102.62 13.14 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.183 -0.948 . . . . 0.0 110.783 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.16 -18.73 57.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 108.597 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -71.71 -39.99 69.8 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.771 -0.581 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.4 66.92 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.803 . . . . 0.0 109.061 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.483 ' O ' ' SD ' ' B' ' 58' ' ' MET . 58.7 t -59.48 -40.03 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -60.92 -39.96 91.39 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.276 0.56 . . . . 0.0 110.583 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 37.3 ttpt -66.08 -41.73 90.34 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.173 -0.954 . . . . 0.0 109.752 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.57 -41.29 87.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.569 -0.707 . . . . 0.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.593 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -61.07 -28.73 69.29 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.261 -0.899 . . . . 0.0 109.214 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.28 -39.86 91.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.761 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 44.6 mp0 -70.05 -36.22 74.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.79 -1.194 . . . . 0.0 110.798 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 10.2 mt -75.89 -24.5 55.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.934 -1.104 . . . . 0.0 110.157 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -92.5 -29.6 16.14 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.82 -1.175 . . . . 0.0 110.927 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.516 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 21.9 pt-20 -69.48 -34.44 74.34 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.185 -0.947 . . . . 0.0 108.638 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' B' ' 63' ' ' GLU . 31.0 m120 -151.16 54.44 0.87 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.07 -29.74 15.41 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -86.62 0.08 55.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.582 -0.952 . . . . 0.0 109.267 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.1 -153.32 2.94 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mp0 -142.88 159.61 41.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -1.093 . . . . 0.0 110.525 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' B' ' 27' ' ' LYS . 2.7 m -130.92 160.01 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.533 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 32.6 t0 -127.49 -160.58 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.411 -0.806 . . . . 0.0 108.954 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.1 p90 -61.77 -45.44 93.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 0.0 111.363 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.603 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 61.9 tt0 -70.05 -27.23 64.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.699 -1.25 . . . . 0.0 109.783 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -81.01 -39.79 25.31 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 121.052 -1.03 . . . . 0.0 109.709 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.464 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -70.1 -39.31 75.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.133 -0.979 . . . . 0.0 108.694 179.202 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' B' ' 74' ' ' PHE . 54.4 t -73.35 -40.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.372 -0.83 . . . . 0.0 110.99 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.4 t -70.88 -41.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 O-C-N 121.441 -0.787 . . . . 0.0 111.029 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.72 -35.62 70.24 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.288 -0.883 . . . . 0.0 109.851 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.9 t -70.13 -40.06 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.852 . . . . 0.0 110.103 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.54 85.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.87 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -64.03 -34.31 77.72 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 56.2 tp -68.05 -40.01 82.89 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.925 -1.11 . . . . 0.0 110.036 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.534 ' O ' ' N ' ' B' ' 85' ' ' CYS . 4.1 m -63.91 -37.08 86.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.661 -1.274 . . . . 0.0 109.093 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.87 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.9 p -50.84 -30.39 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.07 -37.32 79.57 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' B' ' 82' ' ' THR . 30.7 t -140.25 58.43 1.58 Allowed 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 82' ' ' THR . 65.0 t30 . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.516 2.566 . . . . 0.0 119.516 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -80.01 167.27 20.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.279 -1.13 . . . . 0.0 109.216 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.0 -49.21 78.55 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.216 -0.928 . . . . 0.0 110.265 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' B' ' 18' ' ' HIS . 50.6 mt -69.98 -40.45 75.34 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.083 -1.011 . . . . 0.0 109.187 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.87 -39.28 93.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.346 -0.846 . . . . 0.0 109.452 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.78 -39.78 86.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.506 -0.746 . . . . 0.0 109.59 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.17 84.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -0.911 . . . . 0.0 110.277 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.81 91.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.861 -1.149 . . . . 0.0 110.43 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.94 -40.01 94.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.046 -1.034 . . . . 0.0 110.686 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.5 m -63.06 -40.21 97.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.9 -1.125 . . . . 0.0 110.895 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 83.1 mt -60.42 -39.93 89.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.008 -1.057 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.08 -40.8 90.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.987 -1.07 . . . . 0.0 110.047 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.34 -41.63 98.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.204 -0.935 . . . . 0.0 111.352 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 t -70.93 -31.66 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.752 -1.218 . . . . 0.0 110.081 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 8.8 m-30 -57.91 -38.61 76.18 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.596 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.0 t-80 -60.06 -36.04 76.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.56 -57.64 6.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.526 -1.359 . . . . 0.0 109.382 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' B' ' 4' ' ' LEU . 77.6 m80 -79.93 -47.83 14.39 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.968 -1.082 . . . . 0.0 111.056 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.564 ' C ' ' H ' ' A' ' 21' ' ' LYS . 69.9 m -81.02 -9.94 59.77 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.126 -0.984 . . . . 0.0 112.35 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.596 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -59.62 13.43 0.03 OUTLIER Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.602 -1.311 . . . . 0.0 111.369 -178.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' H ' ' C ' ' A' ' 19' ' ' SER . 26.7 tptp -53.46 -17.55 2.07 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.515 -1.579 . . . . 0.0 107.877 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.48 ' N ' ' C ' ' A' ' 20' ' ' GLY . 26.9 tp10 85.62 -21.25 0.23 Allowed 'General case' 0 C--N 1.285 -2.234 0 CA-C-N 114.082 -1.417 . . . . 0.0 109.527 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.84 -84.37 0.34 Allowed Glycine 0 N--CA 1.489 2.171 0 N-CA-C 108.575 -1.81 . . . . 0.0 108.575 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -98.45 110.01 22.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.435 -1.038 . . . . 0.0 108.934 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -70.0 -18.21 63.31 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.403 ' C ' ' H ' ' A' ' 28' ' ' LEU . 11.5 m-85 -50.01 172.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 69' ' ' VAL . 23.8 tptt -82.03 19.1 1.19 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.719 -1.238 . . . . 0.0 108.631 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' N ' HD23 ' A' ' 28' ' ' LEU . 2.9 mt 81.61 -176.06 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.789 0 CA-C-O 122.616 1.198 . . . . 0.0 112.004 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 m -67.67 150.93 48.09 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -56.41 -36.68 69.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.961 -1.087 . . . . 0.0 110.723 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -60.06 -44.16 94.92 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.77 -1.206 . . . . 0.0 110.101 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' LEU . 81.0 tt0 -73.53 -56.13 5.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.882 -1.136 . . . . 0.0 111.059 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -43.13 -39.42 2.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.898 -1.126 . . . . 0.0 110.587 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.907 ' N ' HD13 ' A' ' 33' ' ' LEU . 25.0 tptp -66.61 -40.27 88.73 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.311 -1.493 . . . . 0.0 110.212 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.405 ' C ' ' OD1' ' A' ' 35' ' ' ASP . 44.0 t0 -60.23 -39.66 87.45 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.562 -1.336 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.94 -56.61 9.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.53 -0.731 . . . . 0.0 112.572 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.7 mm? -76.22 -40.09 53.0 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.733 -1.229 . . . . 0.0 112.193 -177.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -54.76 -27.63 42.7 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.137 -0.977 . . . . 0.0 108.716 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 m -94.89 -41.67 9.08 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.509 -0.745 . . . . 0.0 109.107 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -59.99 -38.05 81.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 0.0 109.399 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 12.8 mt -86.4 39.24 0.82 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -46.05 -40.49 10.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.265 -0.897 . . . . 0.0 110.625 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 19.0 m -58.62 -16.71 17.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 26.8 t80 -59.97 -43.73 94.9 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.0 mp -63.93 -14.09 50.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' SER . 48.4 t0 -57.33 -35.71 70.23 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.386 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.864 HG21 HD22 ' A' ' 87' ' ' ASN . 1.6 p -166.24 87.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.728 -1.232 . . . . 0.0 111.315 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.05 140.13 56.28 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.1 mmmt -108.97 -81.02 0.57 Allowed 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.585 -178.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -93.84 108.74 20.49 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.0 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.06 59.93 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -71.53 -40.02 70.34 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.73 58.11 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.168 -0.958 . . . . 0.0 108.828 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -40.0 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.361 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -60.34 -40.46 90.75 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.073 0.464 . . . . 0.0 111.415 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.72 -39.97 76.51 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.132 -0.98 . . . . 0.0 110.13 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 81' ' ' LEU . 1.5 mp -64.25 -40.41 88.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -25.59 68.07 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.449 -0.782 . . . . 0.0 108.908 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -64.4 -40.02 94.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.5 -0.75 . . . . 0.0 111.067 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.29 -38.09 74.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.693 -1.255 . . . . 0.0 110.995 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD13 ' HB2' ' A' ' 34' ' ' LYS . 2.9 mt -78.91 -22.45 45.83 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.022 -1.049 . . . . 0.0 110.543 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.99 -30.25 15.43 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.777 -1.202 . . . . 0.0 109.996 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.17 -34.63 71.12 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 66' ' ' ASP . 48.3 t30 -151.65 56.76 0.86 Allowed 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.74 -13.99 0.96 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 64' ' ' ASN . 97.0 m-20 -85.3 0.27 52.53 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.479 -1.013 . . . . 0.0 108.904 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -62.21 -150.73 0.02 OUTLIER Glycine 0 N--CA 1.479 1.547 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -145.71 154.62 42.28 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.358 -1.083 . . . . 0.0 111.307 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.4 m -139.94 142.68 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 28.7 t0 -128.24 -154.74 0.65 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.3 p90 -61.32 -48.64 80.42 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.283 -0.886 . . . . 0.0 112.285 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 1.044 ' CD ' ' CG2' ' B' ' 83' ' ' VAL . 63.6 tt0 -70.01 -28.1 65.22 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.537 -1.352 . . . . 0.0 109.07 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 28.5 mm-40 -80.82 -36.96 30.89 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 78' ' ' VAL . 4.2 t80 -69.93 -38.25 76.14 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.413 -0.804 . . . . 0.0 109.218 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.859 HG11 ' HB2' ' B' ' 79' ' ' ALA . 49.7 t -76.75 -42.56 33.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 O-C-N 121.499 -0.751 . . . . 0.0 111.146 -177.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.543 HG13 HG13 ' B' ' 76' ' ' VAL . 76.9 t -72.68 -39.98 61.19 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.195 0 O-C-N 121.272 -0.893 . . . . 0.0 110.417 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.31 -39.9 64.93 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.49 -0.756 . . . . 0.0 110.505 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 74' ' ' PHE . 88.6 t -71.98 -37.68 61.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.405 -0.809 . . . . 0.0 109.04 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.855 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -66.64 -36.72 83.24 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.917 ' HA ' HE21 ' B' ' 72' ' ' GLN . . . -60.25 -42.45 95.32 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.896 0.855 . . . . 0.0 108.754 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 57' ' ' ILE . 94.1 mt -60.1 -40.99 91.55 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.443 -1.411 . . . . 0.0 107.909 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 86' ' ' ASN . 1.2 m -49.97 -30.02 9.63 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.512 -0.742 . . . . 0.0 109.182 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.039 ' CG2' ' CD ' ' B' ' 72' ' ' GLN . 47.1 t -59.95 -45.51 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-O 122.291 1.043 . . . . 0.0 108.396 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.616 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -68.95 -21.87 64.16 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.861 -177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.524 ' C ' ' H ' ' A' ' 87' ' ' ASN . 33.3 t -135.94 29.74 3.11 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.567 -1.333 . . . . 0.0 108.165 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 82' ' ' THR . 40.9 p30 -57.59 -0.55 0.07 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.831 . . . . 0.0 109.9 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.864 HD22 HG21 ' A' ' 47' ' ' VAL . 32.5 t-20 -52.27 117.77 3.05 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.292 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -70.02 -25.89 63.8 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.537 -1.282 . . . . 0.0 107.537 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 91' ' ' GLU . 78.7 m-85 -71.24 -6.96 43.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.719 -0.613 . . . . 0.0 109.447 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.424 ' C ' ' CD1' ' A' ' 90' ' ' TRP . 0.3 OUTLIER -63.63 41.61 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 119.773 -0.771 . . . . 0.0 110.769 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 89' ' ' PHE . 79.6 mm-40 -80.36 134.39 36.03 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 108.869 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -90.61 -0.01 57.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.032 -1.043 . . . . 0.0 109.82 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.658 179.805 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.808 0 N-CA-C 119.36 2.504 . . . . 0.0 119.36 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -79.84 167.42 20.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -1.165 . . . . 0.0 109.1 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.49 -49.08 79.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 110.181 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 18' ' ' HIS . 50.8 mt -69.89 -40.64 75.53 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.028 -1.045 . . . . 0.0 109.157 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.67 -39.29 93.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.4 -0.812 . . . . 0.0 109.372 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.82 -39.9 86.63 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 109.53 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.23 84.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.0 110.284 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mmt -60.07 -45.67 92.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.993 -1.067 . . . . 0.0 110.489 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.97 -40.1 94.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.092 . . . . 0.0 110.821 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.8 m -62.92 -39.96 96.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.02 -1.05 . . . . 0.0 110.946 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.7 mt -60.49 -40.08 90.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.042 -1.036 . . . . 0.0 111.009 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -41.17 91.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.965 -1.084 . . . . 0.0 109.994 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -62.99 -41.58 99.6 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.177 -0.952 . . . . 0.0 111.401 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.18 -31.33 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.612 -1.305 . . . . 0.0 110.177 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 9.0 m-30 -58.3 -38.42 77.01 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.585 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.0 t-80 -60.04 -35.84 75.98 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -57.58 7.07 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 109.316 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 4' ' ' LEU . 77.4 m80 -79.97 -48.03 14.02 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 120.943 -1.098 . . . . 0.0 111.001 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.549 ' C ' ' H ' ' B' ' 21' ' ' LYS . 67.6 m -80.87 -10.09 59.76 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.099 -1.001 . . . . 0.0 112.319 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.44 13.27 0.03 OUTLIER Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.44 -1.362 . . . . 0.0 111.433 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' B' ' 19' ' ' SER . 26.8 tptp -53.27 -17.25 1.64 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.569 -1.548 . . . . 0.0 107.916 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' B' ' 20' ' ' GLY . 26.6 tp10 85.02 -21.02 0.25 Allowed 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.608 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.09 -83.88 0.38 Allowed Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -98.87 109.86 22.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.259 -1.142 . . . . 0.0 108.926 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.97 -18.26 63.34 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.411 ' C ' ' H ' ' B' ' 28' ' ' LEU . 11.4 m-85 -49.96 173.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.363 -0.976 . . . . 0.0 108.363 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 69' ' ' VAL . 23.2 tptt -82.31 19.22 1.25 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.812 1.292 . . . . 0.0 108.634 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.536 HD23 ' N ' ' B' ' 28' ' ' LEU . 2.9 mt 81.51 -176.24 0.05 Allowed 'General case' 0 N--CA 1.514 2.767 0 CA-C-O 122.513 1.149 . . . . 0.0 112.176 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -67.56 150.32 48.97 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -55.83 -36.98 68.08 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.987 -1.07 . . . . 0.0 110.677 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -60.02 -44.25 94.72 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.794 -1.191 . . . . 0.0 109.97 -178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' B' ' 33' ' ' LEU . 81.0 tt0 -73.34 -56.24 5.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.784 -1.197 . . . . 0.0 111.08 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.946 HD22 ' O ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -42.88 -39.4 2.52 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.94 -1.1 . . . . 0.0 110.61 -178.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.88 ' N ' HD13 ' B' ' 33' ' ' LEU . 24.9 tptp -66.83 -40.2 87.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.097 -1.627 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 44.6 t0 -60.06 -39.88 87.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.633 -1.292 . . . . 0.0 109.213 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.03 -56.53 9.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.581 -0.699 . . . . 0.0 112.638 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.552 HD22 ' N ' ' B' ' 37' ' ' LEU . 3.8 mm? -76.32 -40.16 52.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.7 -1.25 . . . . 0.0 112.224 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -54.52 -27.64 39.67 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 121.138 -0.976 . . . . 0.0 108.712 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -94.91 -41.68 9.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.451 -0.781 . . . . 0.0 109.085 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.95 -37.98 81.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 12.9 mt -86.76 39.47 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -45.74 -40.56 9.61 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.363 -0.836 . . . . 0.0 110.589 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 19.9 m -58.62 -16.95 18.26 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.46 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 27.2 t80 -60.07 -43.48 95.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.542 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.1 mp -64.08 -14.25 53.23 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' B' ' 43' ' ' SER . 48.4 t0 -57.2 -35.66 69.89 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.282 -0.886 . . . . 0.0 109.404 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.839 HG21 HD22 ' B' ' 87' ' ' ASN . 1.9 p -166.38 87.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.729 -1.232 . . . . 0.0 111.427 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.24 140.02 56.03 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.888 -1.132 . . . . 0.0 107.949 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.643 ' N ' ' O ' ' B' ' 84' ' ' ALA . 16.8 mmmt -108.85 -80.89 0.57 Allowed 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.521 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -93.95 108.64 20.42 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 122.15 0.976 . . . . 0.0 109.002 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.39 59.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -71.22 -39.88 71.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.514 -0.741 . . . . 0.0 109.797 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.84 56.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.103 -0.998 . . . . 0.0 108.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -40.0 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.428 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -60.37 -40.42 90.73 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 121.097 0.475 . . . . 0.0 111.498 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -69.98 -40.03 75.58 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.144 -0.972 . . . . 0.0 109.979 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.473 HG21 HD21 ' B' ' 81' ' ' LEU . 1.5 mp -64.12 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -25.91 68.27 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -64.21 -40.04 95.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 111.117 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.2 -38.4 75.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.656 -1.278 . . . . 0.0 110.984 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' B' ' 34' ' ' LYS . 2.9 mt -78.64 -22.73 46.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.076 -1.015 . . . . 0.0 110.567 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.8 -30.01 15.69 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.69 -1.256 . . . . 0.0 110.061 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.39 -34.47 70.42 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' B' ' 66' ' ' ASP . 48.9 t30 -151.56 56.42 0.87 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.464 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.5 -14.23 0.92 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' B' ' 64' ' ' ASN . 96.9 m-20 -85.07 0.03 52.9 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.415 -1.05 . . . . 0.0 108.957 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -62.02 -150.83 0.02 OUTLIER Glycine 0 N--CA 1.48 1.581 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -145.78 154.74 42.36 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.246 -1.149 . . . . 0.0 111.042 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 m -139.96 142.67 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' B' ' 71' ' ' PHE . 28.8 t0 -128.24 -154.67 0.65 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.1 p90 -61.45 -48.8 79.49 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.297 -0.877 . . . . 0.0 112.218 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 1.039 ' CD ' ' CG2' ' A' ' 83' ' ' VAL . 63.9 tt0 -69.92 -28.02 65.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.511 -1.368 . . . . 0.0 109.047 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 29.2 mm-40 -80.83 -36.87 30.99 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.545 ' O ' HG23 ' B' ' 78' ' ' VAL . 4.5 t80 -70.04 -38.47 75.84 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.417 -0.802 . . . . 0.0 109.229 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 79' ' ' ALA . 53.7 t -76.33 -42.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.443 -0.786 . . . . 0.0 111.166 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.543 HG13 HG13 ' A' ' 76' ' ' VAL . 75.9 t -72.75 -39.99 60.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 O-C-N 121.216 -0.927 . . . . 0.0 110.493 -178.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 tp -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 110.405 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 74' ' ' PHE . 78.3 t -72.11 -37.75 60.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.332 -0.855 . . . . 0.0 109.015 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.859 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.56 -36.72 83.34 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.969 ' HA ' HE21 ' A' ' 72' ' ' GLN . . . -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.854 0.835 . . . . 0.0 108.821 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.473 HD21 HG21 ' B' ' 57' ' ' ILE . 92.4 mt -60.07 -40.9 91.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.457 -1.402 . . . . 0.0 107.766 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 86' ' ' ASN . 1.3 m -50.06 -30.02 10.0 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.436 -0.79 . . . . 0.0 109.27 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 1.044 ' CG2' ' CD ' ' A' ' 72' ' ' GLN . 46.7 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 120.938 -1.102 . . . . 0.0 108.429 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.643 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -68.95 -21.71 64.17 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.019 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.502 ' C ' ' H ' ' B' ' 87' ' ' ASN . 33.8 t -136.11 29.93 3.05 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.573 -1.329 . . . . 0.0 108.148 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' B' ' 82' ' ' THR . 41.4 p30 -57.83 -0.5 0.08 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 0.0 109.961 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.839 HD22 HG21 ' B' ' 47' ' ' VAL . 32.8 t-20 -52.32 117.75 3.05 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.039 -1.064 . . . . 0.0 110.167 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -70.01 -25.46 63.6 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.583 ' O ' ' N ' ' B' ' 91' ' ' GLU . 78.7 m-85 -71.72 -6.62 42.59 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.409 ' C ' ' CD1' ' B' ' 90' ' ' TRP . 0.3 OUTLIER -63.82 40.86 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.343 -0.848 . . . . 0.0 110.778 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' B' ' 89' ' ' PHE . 79.3 mm-40 -79.2 134.7 36.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 109.023 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -90.84 -0.14 57.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.989 -1.069 . . . . 0.0 109.818 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.062 -0.97 . . . . 0.0 109.61 179.817 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.608 2.603 . . . . 0.0 119.608 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -81.23 161.47 23.95 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -1.119 . . . . 0.0 109.692 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.336 -0.852 . . . . 0.0 109.832 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.584 HD13 HG11 ' B' ' 14' ' ' VAL . 0.7 OUTLIER -71.06 -42.08 69.9 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.896 -1.127 . . . . 0.0 110.341 -179.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -69.32 -40.11 77.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.742 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.16 -39.9 88.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.355 -0.84 . . . . 0.0 109.764 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.75 91.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.178 -0.951 . . . . 0.0 110.324 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 tpt -60.01 -39.98 87.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.814 -1.179 . . . . 0.0 110.03 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -59.9 -36.63 77.39 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 108.793 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -60.12 -38.7 83.81 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.507 -0.746 . . . . 0.0 109.935 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.96 -39.97 87.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.862 -1.149 . . . . 0.0 110.356 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -60.18 -48.76 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.509 -1.369 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -59.99 -39.45 85.78 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.852 -1.155 . . . . 0.0 110.405 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG11 HD13 ' B' ' 4' ' ' LEU . 55.3 t -59.99 -38.93 78.71 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.043 -1.036 . . . . 0.0 110.088 -179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.77 -35.18 68.36 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.165 -0.959 . . . . 0.0 108.502 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -59.24 -37.64 78.06 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.33 -56.56 9.12 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 110.439 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -95.1 -48.47 5.94 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.675 -1.266 . . . . 0.0 111.283 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.5 m -73.73 -24.49 59.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.924 -1.11 . . . . 0.0 111.264 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.45 96.44 Favored Glycine 0 N--CA 1.493 2.46 0 C-N-CA 119.354 -1.403 . . . . 0.0 110.332 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -11.55 59.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.871 -1.37 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 24' ' ' ASP . 52.0 tp10 -93.23 140.55 29.41 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.67 -34.69 70.89 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 97.2 m-20 -85.71 120.4 27.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.234 -1.156 . . . . 0.0 109.649 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' TYR . 49.5 mtmt -67.04 -31.4 71.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.491 -0.755 . . . . 0.0 109.81 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LYS . 64.2 m-85 -49.3 175.27 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 109.117 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HB3' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -57.63 -79.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.846 -1.159 . . . . 0.0 109.42 -179.051 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.48 -177.06 1.4 Allowed 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.106 -0.996 . . . . 0.0 108.711 -179.418 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.4 p -69.18 155.44 40.38 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -57.11 -49.4 76.03 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.516 -1.365 . . . . 0.0 111.676 -177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.65 -46.31 90.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.084 -1.635 . . . . 0.0 110.825 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.67 -40.01 91.93 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.869 -1.145 . . . . 0.0 109.08 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -56.1 -39.99 72.99 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.534 -0.729 . . . . 0.0 109.502 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.735 ' N ' HD13 ' A' ' 33' ' ' LEU . 34.6 tptt -72.37 -51.95 18.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.709 -1.245 . . . . 0.0 111.306 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 51.2 t0 -57.56 -28.97 64.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.409 -1.432 . . . . 0.0 109.772 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.18 -56.09 5.31 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.77 -0.581 . . . . 0.0 110.777 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.48 -55.07 6.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.119 -0.988 . . . . 0.0 111.593 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -48.56 -25.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.131 -0.98 . . . . 0.0 108.562 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 m -80.28 -38.54 30.6 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.96 -17.18 53.6 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 HD22 ' A' ' 81' ' ' LEU . 29.0 mt -96.2 33.02 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.6 m -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.696 -0.628 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 52.3 m -64.7 -26.06 68.21 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.917 -1.114 . . . . 0.0 108.958 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 57.4 m-85 -70.11 -24.21 63.16 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 120.622 -1.299 . . . . 0.0 107.88 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 10.7 mp -74.4 -0.96 18.96 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 176.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 43' ' ' SER . 96.2 m-20 -60.03 -40.06 88.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.293 -0.88 . . . . 0.0 109.566 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.52 90.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.212 -0.93 . . . . 0.0 109.484 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 45' ' ' LEU . 25.5 mp0 -68.69 113.26 6.02 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.382 -0.824 . . . . 0.0 110.601 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 84' ' ' ALA . 32.1 mmtp -80.57 -69.98 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -100.89 95.43 6.61 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.144 0.973 . . . . 0.0 110.462 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.5 63.78 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.734 -1.229 . . . . 0.0 108.672 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -70.69 -39.9 73.23 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.5 62.54 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.1 t -59.69 -37.9 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 47.8 t0 -60.03 -39.98 87.78 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.9 -0.5 . . . . 0.0 110.587 -178.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -67.47 -39.43 85.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.911 -1.118 . . . . 0.0 109.364 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.518 HD11 ' CB ' ' A' ' 80' ' ' ALA . 83.0 mt -59.9 -40.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.566 0.698 . . . . 0.0 109.217 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 ttm -66.3 -35.84 81.42 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.329 -0.857 . . . . 0.0 109.51 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.098 -1.001 . . . . 0.0 110.087 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' OE1' ' CD1' ' A' ' 77' ' ' LEU . 98.9 mt-10 -60.88 -40.03 91.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 110.621 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 28.5 mt -59.94 -27.38 66.73 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.077 -1.014 . . . . 0.0 109.11 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 56.0 t0 -85.41 -30.95 23.17 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.339 -0.851 . . . . 0.0 109.864 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.76 -40.01 90.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.389 -0.819 . . . . 0.0 108.86 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 64' ' ' ASN . 13.7 p-10 -155.35 58.06 0.64 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -48.73 -27.37 6.19 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.58 0.05 57.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.98 . . . . 0.0 109.536 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.85 -154.3 1.36 Allowed Glycine 0 N--CA 1.479 1.535 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -143.94 159.25 42.9 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.335 -1.097 . . . . 0.0 111.267 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.689 HG23 ' HB3' ' A' ' 27' ' ' LYS . 15.7 m -133.49 146.92 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.507 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 3.8 m-20 -128.84 -152.88 0.54 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.24 -0.913 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.708 ' HZ ' HG22 ' B' ' 83' ' ' VAL . 8.8 p90 -59.49 -48.24 82.41 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.828 -0.545 . . . . 0.0 111.401 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.655 ' NE2' HG21 ' B' ' 83' ' ' VAL . 7.0 tt0 -69.97 -31.05 68.57 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.453 -1.405 . . . . 0.0 109.656 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 73' ' ' GLU . 53.7 mp0 -83.52 -36.59 23.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.075 -1.016 . . . . 0.0 109.648 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 78' ' ' VAL . 9.9 t80 -70.02 -38.39 75.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 109.024 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' B' ' 79' ' ' ALA . 53.8 t -77.38 -44.53 30.22 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 C-N-CA 119.505 -0.878 . . . . 0.0 111.067 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.829 HG13 HG13 ' B' ' 76' ' ' VAL . 95.8 t -71.56 -40.85 71.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 O-C-N 121.282 -0.886 . . . . 0.0 110.537 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD21 HG23 ' A' ' 57' ' ' ILE . 5.3 tp -71.92 -38.3 69.92 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.404 -0.81 . . . . 0.0 110.387 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 74' ' ' PHE . 72.2 t -69.63 -39.98 78.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.94 -1.1 . . . . 0.0 108.524 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -59.99 -38.63 83.13 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' C ' HD23 ' A' ' 81' ' ' LEU . 9.8 tt -62.15 -40.12 94.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.418 -1.426 . . . . 0.0 109.094 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.3 m -59.54 -30.6 68.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.559 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.734 HG22 ' HZ ' ' B' ' 71' ' ' PHE . 52.7 t -59.04 -39.96 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.83 -20.53 65.87 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.737 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.67 ' O ' ' N ' ' A' ' 87' ' ' ASN . 13.3 t -148.66 70.43 1.12 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.44 56.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' CYS . 37.2 t30 -51.12 138.84 19.28 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.961 0.886 . . . . 0.0 111.233 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -147.62 -69.92 0.23 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -90.72 -10.09 44.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.511 -0.743 . . . . 0.0 109.314 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -94.6 41.87 1.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.324 -0.86 . . . . 0.0 110.17 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 15.8 pt-20 -72.15 148.36 45.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.606 -0.684 . . . . 0.0 109.404 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.59 137.4 57.34 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.026 -1.046 . . . . 0.0 109.715 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.586 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.844 0 N-CA-C 119.556 2.583 . . . . 0.0 119.556 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -81.45 161.34 23.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 0.0 109.473 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.89 -48.48 81.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.296 -0.878 . . . . 0.0 109.769 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.594 HD13 HG11 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -70.86 -42.26 70.34 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.986 -1.071 . . . . 0.0 110.345 -179.249 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.39 -39.92 77.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.035 -1.041 . . . . 0.0 109.721 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.15 -39.96 88.19 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.439 -0.788 . . . . 0.0 109.654 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.11 89.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.202 -0.937 . . . . 0.0 110.39 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.023 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.91 -36.57 77.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.18 -0.95 . . . . 0.0 108.804 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -38.91 83.83 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.431 -0.793 . . . . 0.0 109.917 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.853 -1.155 . . . . 0.0 110.375 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.3 mt -60.08 -48.55 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.406 -1.434 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -60.01 -39.36 85.57 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.884 -1.135 . . . . 0.0 110.407 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.584 HG11 HD13 ' A' ' 4' ' ' LEU . 54.9 t -60.01 -38.98 78.95 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 121.001 -1.062 . . . . 0.0 110.162 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.93 -34.9 68.44 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -59.32 -37.86 78.85 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.09 -56.72 8.23 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.128 -0.982 . . . . 0.0 110.433 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -95.0 -48.73 5.86 Favored 'General case' 0 N--CA 1.51 2.536 0 O-C-N 120.653 -1.279 . . . . 0.0 111.25 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 53.3 m -73.5 -24.53 60.18 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.924 -1.11 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.49 -42.91 96.14 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 119.531 -1.319 . . . . 0.0 110.275 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.01 -11.69 60.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.896 -1.355 . . . . 0.0 109.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' B' ' 24' ' ' ASP . 51.4 tp10 -93.07 140.83 29.07 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.04 71.33 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.407 ' H ' ' HG3' ' B' ' 22' ' ' GLU . 97.2 m-20 -85.85 120.37 27.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.174 -1.192 . . . . 0.0 109.728 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' B' ' 26' ' ' TYR . 49.4 mtmt -66.66 -31.72 72.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.501 -0.749 . . . . 0.0 109.924 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' B' ' 25' ' ' LYS . 64.2 m-85 -49.17 175.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.303 -0.873 . . . . 0.0 109.14 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.705 ' HB3' HG23 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -57.34 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.764 -1.21 . . . . 0.0 109.374 -179.099 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -173.05 -177.12 1.51 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.034 -1.041 . . . . 0.0 108.736 -179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 77.3 p -69.07 155.42 40.39 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -57.08 -49.53 75.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.516 -1.365 . . . . 0.0 111.565 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -60.68 -46.38 90.56 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.127 -1.608 . . . . 0.0 110.862 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -65.62 -39.97 92.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.877 -1.139 . . . . 0.0 109.031 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.746 HD13 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -56.03 -39.99 72.8 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.558 -0.714 . . . . 0.0 109.542 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.746 ' N ' HD13 ' B' ' 33' ' ' LEU . 33.4 tptt -72.28 -52.18 17.45 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.815 -1.178 . . . . 0.0 111.265 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 51.5 t0 -57.47 -28.91 63.81 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.423 -1.423 . . . . 0.0 109.788 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.15 -56.06 5.35 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.694 -0.628 . . . . 0.0 110.775 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.46 -55.13 5.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.199 -0.938 . . . . 0.0 111.627 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.33 -25.85 1.77 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.239 -0.913 . . . . 0.0 108.537 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 13.2 m -80.01 -38.76 31.38 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.97 -16.99 54.08 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.462 HD13 HD22 ' B' ' 81' ' ' LEU . 25.4 mt -96.17 32.66 1.89 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.95 -40.07 87.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.663 -0.648 . . . . 0.0 110.711 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 53.5 m -64.62 -26.08 68.24 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 120.831 -1.168 . . . . 0.0 108.943 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 57.7 m-85 -70.27 -23.89 62.96 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.468 -1.293 . . . . 0.0 107.915 178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' B' ' 48' ' ' GLN . 10.6 mp -74.52 -1.1 19.89 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' B' ' 43' ' ' SER . 96.0 m-20 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.753 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.43 90.52 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.173 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' B' ' 45' ' ' LEU . 25.7 mp0 -68.96 113.28 6.22 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.709 0.766 . . . . 0.0 110.547 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' B' ' 84' ' ' ALA . 32.4 mmtp -80.47 -70.05 0.55 Allowed 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.8 95.51 6.69 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-O 122.159 0.98 . . . . 0.0 110.489 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.83 -16.8 63.88 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.769 -1.207 . . . . 0.0 108.742 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -70.64 -39.9 73.38 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.47 -50.8 62.1 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.292 -0.88 . . . . 0.0 109.498 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.493 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.1 t -59.88 -37.83 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.478 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 47.8 t0 -60.04 -40.03 87.96 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.963 -0.461 . . . . 0.0 110.621 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.2 -39.54 86.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.528 HD11 ' CB ' ' B' ' 80' ' ' ALA . 77.9 mt -60.07 -40.0 82.01 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.691 0 CA-C-O 121.542 0.687 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttm -65.96 -35.96 82.03 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -60.02 -40.07 88.0 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.142 -0.974 . . . . 0.0 110.208 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' B' ' 77' ' ' LEU . 99.0 mt-10 -61.16 -40.04 92.37 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.253 -0.904 . . . . 0.0 110.525 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 30.2 mt -59.6 -27.44 66.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.109 -0.995 . . . . 0.0 109.168 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 57.4 t0 -85.69 -30.76 22.91 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.354 -0.841 . . . . 0.0 109.743 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.9 -40.03 91.57 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.352 -0.843 . . . . 0.0 108.807 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' B' ' 64' ' ' ASN . 13.6 p-10 -155.31 58.03 0.64 Allowed 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -48.57 -27.57 6.09 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -89.57 0.05 57.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.485 -1.009 . . . . 0.0 109.563 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.96 -154.21 1.37 Allowed Glycine 0 N--CA 1.479 1.551 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -144.1 159.17 43.09 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.401 -1.058 . . . . 0.0 111.361 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.705 HG23 ' HB3' ' B' ' 27' ' ' LYS . 16.7 m -133.55 146.87 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.491 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 3.6 m-20 -128.73 -152.84 0.54 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.225 -0.922 . . . . 0.0 109.342 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.734 ' HZ ' HG22 ' A' ' 83' ' ' VAL . 9.0 p90 -59.51 -47.99 83.37 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.712 -0.617 . . . . 0.0 111.453 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.684 ' NE2' HG21 ' A' ' 83' ' ' VAL . 7.0 tt0 -70.09 -31.1 68.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.456 -1.402 . . . . 0.0 109.566 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 54.6 mp0 -83.57 -36.56 23.88 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.965 -1.084 . . . . 0.0 109.737 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.574 ' O ' HG23 ' B' ' 78' ' ' VAL . 8.9 t80 -70.05 -38.41 75.81 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.246 -0.908 . . . . 0.0 109.037 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 79' ' ' ALA . 53.3 t -77.2 -44.77 30.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 C-N-CA 119.605 -0.838 . . . . 0.0 111.12 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.829 HG13 HG13 ' A' ' 76' ' ' VAL . 97.3 t -71.48 -40.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.343 -0.848 . . . . 0.0 110.515 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.419 HD21 HG23 ' B' ' 57' ' ' ILE . 5.4 tp -72.09 -38.05 69.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.42 -0.8 . . . . 0.0 110.444 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 74' ' ' PHE . 75.6 t -69.57 -40.04 79.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.985 -1.072 . . . . 0.0 108.525 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.538 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -60.15 -39.89 87.94 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.528 ' CB ' HD11 ' B' ' 57' ' ' ILE . . . -59.97 -38.77 83.48 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.51 ' C ' HD23 ' B' ' 81' ' ' LEU . 10.0 tt -62.33 -39.9 94.58 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.383 -1.448 . . . . 0.0 109.021 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.0 m -59.49 -30.44 68.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 0.0 109.445 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.708 HG22 ' HZ ' ' A' ' 71' ' ' PHE . 55.6 t -59.23 -39.95 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.95 -20.36 65.82 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.773 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.668 ' O ' ' N ' ' B' ' 87' ' ' ASN . 12.1 t -148.75 70.54 1.12 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.801 -1.187 . . . . 0.0 107.89 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.52 56.24 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.668 ' N ' ' O ' ' B' ' 85' ' ' CYS . 35.1 t30 -51.38 138.82 20.74 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.949 0.88 . . . . 0.0 111.28 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -147.44 -70.07 0.23 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -90.52 -10.04 45.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.517 -0.739 . . . . 0.0 109.333 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 13.5 m-90 -94.48 41.1 1.09 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 0.0 110.238 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.84 148.94 47.31 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.584 -0.698 . . . . 0.0 109.261 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -65.64 138.08 57.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 72.5 p . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.526 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.775 0 N-CA-C 118.865 2.306 . . . . 0.0 118.865 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 60.3 p -81.67 162.18 23.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.13 -1.218 . . . . 0.0 109.432 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.15 -40.85 91.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.185 -0.947 . . . . 0.0 110.416 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -79.11 -50.25 11.32 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' H ' ' HG ' ' A' ' 2' ' ' SER . 89.1 tt0 -62.25 -39.57 93.29 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.215 -0.928 . . . . 0.0 109.948 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.09 -40.12 92.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.438 -0.789 . . . . 0.0 110.122 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.18 90.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 110.354 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.94 93.27 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.035 -1.041 . . . . 0.0 109.433 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.8 -38.06 86.7 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.137 -0.977 . . . . 0.0 109.678 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.6 m -59.75 -40.19 87.31 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 110.124 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 87.1 mt -60.14 -40.76 90.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.98 -1.075 . . . . 0.0 110.409 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.1 -40.65 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.113 -0.992 . . . . 0.0 110.423 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.22 -40.28 95.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 25.5 t -73.8 -31.46 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.745 -1.222 . . . . 0.0 110.893 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.0 m-30 -55.91 -39.83 72.19 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.57 ' O ' ' N ' ' A' ' 20' ' ' GLY . 7.2 m-70 -62.93 -24.99 68.12 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -59.87 -50.54 73.4 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.011 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -90.41 -14.79 32.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.228 -0.92 . . . . 0.0 111.382 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 m -137.76 11.75 2.92 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.679 -1.263 . . . . 0.0 111.718 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -83.41 -27.35 39.86 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -74.51 -13.28 60.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -1.191 . . . . 0.0 108.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -84.67 156.03 21.69 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.462 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.24 -7.58 88.37 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -101.91 117.76 35.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.693 -0.887 . . . . 0.0 109.035 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -71.89 -19.98 61.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.782 -1.199 . . . . 0.0 109.325 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -51.67 168.04 0.09 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.845 -1.159 . . . . 0.0 108.133 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HB3' HG23 ' A' ' 69' ' ' VAL . 23.5 tptp -67.28 -80.33 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.978 -1.077 . . . . 0.0 109.744 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.18 -178.2 1.7 Allowed 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 -178.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.462 ' H ' ' CD1' ' A' ' 28' ' ' LEU . 97.1 p -69.1 157.35 37.03 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -59.34 -48.28 82.24 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.695 -1.253 . . . . 0.0 112.304 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -60.55 -44.64 95.91 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 119.842 -1.786 . . . . 0.0 111.716 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -70.44 -40.83 73.53 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.663 -1.273 . . . . 0.0 108.858 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -48.93 -51.45 30.11 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.516 0.674 . . . . 0.0 109.755 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.694 ' N ' HD13 ' A' ' 33' ' ' LEU . 7.5 tptm -65.11 -40.23 94.23 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.552 -1.342 . . . . 0.0 111.913 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.65 -34.93 73.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.493 -1.38 . . . . 0.0 109.062 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 mt -72.25 -55.32 7.4 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.87 -42.45 63.65 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 119.601 -1.937 . . . . 0.0 111.245 -178.04 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -74.47 -39.79 62.27 Favored 'General case' 0 C--N 1.296 -1.747 0 C-N-CA 119.614 -0.835 . . . . 0.0 109.435 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.03 -17.53 52.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.276 -0.89 . . . . 0.0 109.884 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 33.6 mt -100.98 32.95 2.99 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.141 -0.974 . . . . 0.0 108.653 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -59.41 -41.45 89.52 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 121.585 0.707 . . . . 0.0 110.279 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -61.25 -26.82 68.02 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.517 -0.739 . . . . 0.0 110.087 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.536 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 32.2 m-85 -70.08 -19.91 63.24 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.3 mt -75.78 -8.72 57.54 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' CG ' HG22 ' A' ' 47' ' ' VAL . 30.5 p-10 -48.91 -43.15 39.02 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 120.079 -0.648 . . . . 0.0 109.424 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.542 HG22 ' CG ' ' A' ' 46' ' ' ASP . 1.5 m -152.09 88.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.323 -0.86 . . . . 0.0 109.275 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -68.43 111.36 4.62 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.022 -1.049 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.676 ' N ' ' O ' ' A' ' 84' ' ' ALA . 43.5 mmtm -79.53 -68.04 0.7 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -93.46 90.4 6.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 122.169 0.985 . . . . 0.0 110.049 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.57 -17.37 62.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.462 -0.774 . . . . 0.0 109.069 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.87 -38.41 76.39 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 121.626 -0.671 . . . . 0.0 109.605 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.41 -48.55 60.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.213 -0.929 . . . . 0.0 109.96 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -58.61 -39.16 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.1 -40.56 90.1 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.26 0.552 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.2 -41.18 98.12 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.124 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 77' ' ' LEU . 77.6 mt -60.35 -41.02 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.611 -0.681 . . . . 0.0 109.74 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 mmt -56.68 -34.29 67.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.078 -1.014 . . . . 0.0 109.028 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.41 -39.78 91.98 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.04 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.48 -39.04 88.55 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.026 -1.046 . . . . 0.0 110.626 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 15.8 mt -69.64 -26.44 64.41 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.812 -1.18 . . . . 0.0 110.887 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -88.95 -37.04 15.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.552 -1.342 . . . . 0.0 110.305 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.4 -33.39 71.33 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLY . 26.5 m120 -145.5 45.59 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.396 -0.815 . . . . 0.0 109.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.26 -31.17 19.38 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -87.93 -0.3 56.81 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.474 -1.015 . . . . 0.0 108.484 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -65.57 -149.94 0.08 OUTLIER Glycine 0 N--CA 1.477 1.418 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -154.07 155.24 35.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.112 . . . . 0.0 110.967 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.698 HG21 ' HG ' ' A' ' 33' ' ' LEU . 23.0 m -133.82 153.27 36.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 15.7 m-20 -127.54 -158.44 0.87 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.575 -0.703 . . . . 0.0 109.449 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 33.3 p90 -59.48 -49.42 77.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.703 -0.623 . . . . 0.0 112.372 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.684 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.9 tt0 -69.99 -27.29 64.59 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.344 -1.472 . . . . 0.0 109.591 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 40.4 mt-10 -81.7 -38.97 24.98 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.756 0.789 . . . . 0.0 109.121 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -69.72 -38.51 76.92 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.461 -0.775 . . . . 0.0 109.228 179.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' B' ' 79' ' ' ALA . 54.7 t -73.34 -41.35 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.502 -0.749 . . . . 0.0 110.835 -178.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG13 HG13 ' B' ' 76' ' ' VAL . 83.1 t -69.84 -40.61 79.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.147 -0.971 . . . . 0.0 109.46 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD11 HG23 ' A' ' 57' ' ' ILE . 8.9 tt -68.87 -38.03 79.46 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.417 -0.802 . . . . 0.0 110.545 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 74' ' ' PHE . 71.4 t -69.17 -40.17 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.903 -1.123 . . . . 0.0 109.282 -178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.578 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -61.17 -38.57 86.95 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.522 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD23 HG22 ' A' ' 54' ' ' VAL . 86.9 mt -65.23 -36.03 82.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.324 -1.485 . . . . 0.0 109.141 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -61.03 -36.84 80.61 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.086 -1.009 . . . . 0.0 109.462 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.85 -39.66 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.676 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -60.78 -24.58 65.88 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.404 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.649 ' C ' ' H ' ' A' ' 87' ' ' ASN . 18.1 t -144.46 60.68 1.34 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.497 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 9.4 p-10 -67.42 35.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.812 -1.18 . . . . 0.0 108.568 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.649 ' H ' ' C ' ' A' ' 85' ' ' CYS . 0.0 OUTLIER -60.44 140.98 56.98 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.253 0.549 . . . . 0.0 110.999 -179.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 86' ' ' ASN . 97.7 m-85 -121.28 -46.01 2.31 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.444 -0.785 . . . . 0.0 109.232 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -91.44 -26.81 18.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.459 -0.776 . . . . 0.0 110.654 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.459 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 6.0 m-90 -85.35 29.31 0.68 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.713 -1.242 . . . . 0.0 110.365 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -73.85 142.08 46.09 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.5 -0.75 . . . . 0.0 109.463 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -69.17 138.8 54.43 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.921 -1.112 . . . . 0.0 109.523 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 117.73 -1.129 . . . . 0.0 109.612 -179.377 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.778 0 N-CA-C 119.635 2.614 . . . . 0.0 119.635 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 81.5 p -79.76 162.25 25.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.268 -1.136 . . . . 0.0 109.534 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -60.33 -40.72 91.64 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.473 -0.767 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 tp -79.24 -49.82 11.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.576 -0.703 . . . . 0.0 110.581 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.53 ' H ' ' HG ' ' B' ' 2' ' ' SER . 87.9 tt0 -61.93 -40.03 94.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.96 -1.088 . . . . 0.0 109.914 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.54 -40.91 93.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.838 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.78 91.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.498 -0.751 . . . . 0.0 110.42 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.12 92.73 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.181 -0.949 . . . . 0.0 109.514 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.25 -37.96 84.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.694 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 98.7 m -59.84 -39.5 85.34 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.268 -0.895 . . . . 0.0 109.981 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.2 mt -60.54 -41.07 93.74 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.882 -1.136 . . . . 0.0 110.596 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.87 -42.69 95.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.017 -1.052 . . . . 0.0 110.233 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.84 -40.35 92.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.017 -1.052 . . . . 0.0 111.454 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' ALA . 25.4 t -73.58 -33.43 39.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 120.549 -1.344 . . . . 0.0 110.596 -178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.3 m-30 -54.11 -39.94 66.86 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' B' ' 20' ' ' GLY . 6.1 m-70 -61.94 -26.8 68.41 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -59.8 -47.91 83.82 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.569 -1.332 . . . . 0.0 109.398 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -92.5 -14.14 28.83 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.965 -1.084 . . . . 0.0 111.168 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -138.5 11.85 2.75 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.132 -0.98 . . . . 0.0 111.54 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -83.31 -26.94 41.62 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -76.33 -13.18 60.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -1.171 . . . . 0.0 108.955 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.19 155.98 22.27 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.137 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.0 87.21 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -102.84 119.63 39.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -1.067 . . . . 0.0 109.192 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -73.04 -20.61 60.95 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.569 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -50.98 168.75 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.997 -1.064 . . . . 0.0 108.369 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HB3' HG23 ' B' ' 69' ' ' VAL . 23.6 tptp -68.35 -80.97 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.677 -1.265 . . . . 0.0 109.975 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.534 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -171.23 -178.81 2.49 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.106 -0.996 . . . . 0.0 109.231 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.47 ' H ' ' CD1' ' B' ' 28' ' ' LEU . 97.7 p -69.56 156.96 38.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -59.1 -49.17 78.88 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.431 -1.418 . . . . 0.0 112.359 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -59.91 -44.17 94.45 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.755 -1.841 . . . . 0.0 111.633 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.51 -41.05 73.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.539 -1.351 . . . . 0.0 109.102 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.706 HD21 HD11 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -49.12 -50.74 35.86 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.306 0.574 . . . . 0.0 110.052 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.662 ' N ' HD13 ' B' ' 33' ' ' LEU . 6.9 tptm -65.23 -41.22 94.6 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 120.762 -1.211 . . . . 0.0 111.424 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.738 -1.226 . . . . 0.0 109.4 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.52 -54.08 10.24 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.778 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -73.17 -42.4 62.79 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.018 -1.676 . . . . 0.0 111.243 -177.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -59.57 -29.17 67.76 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 21.5 m -74.45 -39.56 62.46 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.659 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.01 -19.11 48.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.494 -0.754 . . . . 0.0 109.268 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.3 mt -99.53 32.84 2.66 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.196 -0.94 . . . . 0.0 109.053 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.085 -1.009 . . . . 0.0 110.365 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 85.1 p -63.31 -24.87 68.05 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.397 -0.815 . . . . 0.0 109.515 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.537 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 32.9 m-85 -71.13 -19.67 62.41 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 mt -76.26 -7.17 54.32 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.558 ' CG ' HG22 ' B' ' 47' ' ' VAL . 29.5 p-10 -49.94 -43.77 50.06 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.237 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.558 HG22 ' CG ' ' B' ' 46' ' ' ASP . 1.2 m -151.84 89.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.876 -1.14 . . . . 0.0 109.041 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.97 111.89 5.27 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.937 . . . . 0.0 109.738 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.701 ' N ' ' O ' ' B' ' 84' ' ' ALA . 45.0 mmtm -79.83 -69.97 0.55 Allowed 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -91.89 90.19 7.35 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 122.276 1.036 . . . . 0.0 109.995 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.85 62.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.278 -0.889 . . . . 0.0 109.279 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.59 -39.17 77.47 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.78 -0.575 . . . . 0.0 109.842 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.26 -48.74 64.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.564 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -58.49 -39.07 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.072 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.43 -41.24 93.58 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.575 0.703 . . . . 0.0 110.196 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -61.58 -41.6 97.63 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.11 -0.994 . . . . 0.0 109.783 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' B' ' 80' ' ' ALA . 75.0 mt -60.14 -40.65 84.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.472 -0.768 . . . . 0.0 109.363 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mmt -56.87 -35.55 69.02 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.129 -0.982 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.46 -40.5 91.43 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 110.567 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.62 -39.19 91.21 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.731 -1.231 . . . . 0.0 110.637 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.488 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 17.3 mt -69.47 -26.77 64.74 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.707 -1.245 . . . . 0.0 110.913 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -88.06 -37.95 15.85 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.672 -1.268 . . . . 0.0 110.501 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.9 -33.11 71.76 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.59 0.71 . . . . 0.0 109.425 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -145.94 45.41 1.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.85 -32.39 18.38 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -86.19 -1.67 57.66 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.39 -150.24 0.08 OUTLIER Glycine 0 N--CA 1.481 1.666 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -152.52 156.62 39.75 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.346 1.07 . . . . 0.0 111.071 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.689 HG21 ' HG ' ' B' ' 33' ' ' LEU . 17.3 m -134.42 153.51 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.593 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 14.7 m-20 -127.63 -158.0 0.85 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.717 0.77 . . . . 0.0 109.455 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.692 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 34.5 p90 -60.53 -49.44 77.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.898 -0.502 . . . . 0.0 111.882 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.692 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 65.4 tt0 -70.42 -26.49 63.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.336 -1.478 . . . . 0.0 109.364 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.593 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 43.0 mt-10 -81.67 -39.49 24.29 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 119.501 -0.88 . . . . 0.0 109.298 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.667 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.0 OUTLIER -69.12 -38.8 79.06 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.458 0.646 . . . . 0.0 109.352 179.138 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 79' ' ' ALA . 55.9 t -73.63 -41.16 55.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.276 -0.89 . . . . 0.0 110.862 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 72' ' ' GLN . 81.4 t -70.3 -39.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.432 HD11 HG23 ' B' ' 57' ' ' ILE . 10.0 tt -69.84 -38.44 76.52 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.849 -0.532 . . . . 0.0 110.219 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 74' ' ' PHE . 84.5 t -67.78 -40.62 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.751 -1.218 . . . . 0.0 108.734 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.612 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.11 -39.02 88.42 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.512 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.5 -38.9 85.81 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.49 -36.65 84.49 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.431 -1.418 . . . . 0.0 108.999 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -60.37 -36.97 79.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.439 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.512 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -59.86 -39.02 78.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.701 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -60.9 -24.27 65.86 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 121.07 -1.019 . . . . 0.0 109.569 -179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.635 ' C ' ' H ' ' B' ' 87' ' ' ASN . 22.9 t -144.93 61.83 1.31 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.517 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 7.5 p-10 -67.88 35.44 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.707 ' N ' HD22 ' B' ' 87' ' ' ASN . 0.0 OUTLIER -59.98 143.28 52.16 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.95 -178.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' B' ' 86' ' ' ASN . 97.3 m-85 -123.51 -45.13 2.08 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.761 -0.587 . . . . 0.0 109.593 178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -93.74 -25.93 17.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.534 -0.729 . . . . 0.0 110.248 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.433 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 5.7 m-90 -85.13 28.93 0.68 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.903 -1.123 . . . . 0.0 110.071 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -73.04 141.56 47.64 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.843 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -68.31 138.88 55.81 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.273 -0.892 . . . . 0.0 109.043 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.699 -179.668 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.508 2.563 . . . . 0.0 119.508 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.809 ' CB ' ' HG3' ' B' ' 40' ' ' GLU . 19.8 m -85.35 166.02 16.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.301 -1.117 . . . . 0.0 109.083 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -60.18 -49.83 76.07 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.914 -1.116 . . . . 0.0 110.55 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.5 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 69.5 mt -73.53 -40.84 63.7 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.766 -1.209 . . . . 0.0 110.495 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.758 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 87.6 tt0 -61.96 -41.97 98.59 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.006 -1.059 . . . . 0.0 110.339 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.5 m -62.85 -40.03 96.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 111.064 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.1 76.88 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.992 -1.068 . . . . 0.0 111.176 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 tpt -59.98 -43.32 95.19 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.22 -39.94 88.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.022 -1.049 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.04 -39.02 84.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.643 . . . . 0.0 110.275 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.021 -1.049 . . . . 0.0 110.114 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.94 -46.08 94.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 120.889 -1.132 . . . . 0.0 110.098 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.04 -40.88 95.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 111.708 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.82 -40.02 83.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 120.359 -1.463 . . . . 0.0 110.953 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -55.96 -33.35 64.7 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 20' ' ' GLY . 42.8 t-80 -57.86 -31.68 66.93 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.86 39.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.3 -41.0 64.07 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.894 -1.129 . . . . 0.0 110.807 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 3.4 m -103.67 19.89 19.01 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.962 -1.086 . . . . 0.0 111.053 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -57.8 -4.67 1.63 Allowed Glycine 0 N--CA 1.486 2.01 0 C-N-CA 118.396 -1.859 . . . . 0.0 109.712 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 19' ' ' SER . 75.2 mttt -71.91 128.82 36.95 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' GLY . 86.1 tt0 -56.18 -23.87 37.87 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . -47.96 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -102.21 100.31 10.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.38 -1.07 . . . . 0.0 109.691 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 26' ' ' TYR . 97.6 mttt -70.08 -28.54 65.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.928 -1.108 . . . . 0.0 109.086 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' O ' ' O ' ' A' ' 25' ' ' LYS . 84.7 m-85 -47.85 173.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.537 -0.727 . . . . 0.0 109.047 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' O ' ' OG ' ' A' ' 19' ' ' SER . 26.7 tptt -54.21 -76.85 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.666 -1.271 . . . . 0.0 108.898 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 69' ' ' VAL . 7.6 tp -171.31 -178.86 2.48 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.369 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' LEU . 4.3 m -70.04 155.28 40.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.467 -1.396 . . . . 0.0 109.622 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -59.9 -45.16 93.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.131 -0.981 . . . . 0.0 108.681 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLY . 41.8 tptt -70.13 -41.61 73.68 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.15 -0.969 . . . . 0.0 109.29 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -69.97 -37.67 75.83 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.398 -0.814 . . . . 0.0 108.922 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -55.24 -44.62 75.68 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.063 -1.023 . . . . 0.0 109.353 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 61' ' ' LEU . 1.1 tppp? -66.63 -47.85 71.3 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.415 -1.428 . . . . 0.0 112.41 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 60.7 t0 -60.16 -40.09 88.69 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 120.444 -1.41 . . . . 0.0 110.047 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.6 tp -68.77 -54.6 15.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.686 -0.634 . . . . 0.0 112.468 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD11 ' HE2' ' A' ' 74' ' ' PHE . 3.5 mm? -70.25 -39.97 74.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.636 -1.29 . . . . 0.0 111.722 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.47 -29.06 67.55 Favored 'General case' 0 C--N 1.281 -2.385 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.682 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -79.05 -43.69 23.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.812 ' HG3' ' CB ' ' B' ' 2' ' ' SER . 80.4 tt0 -60.34 -39.33 86.71 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PHE . 41.7 mt -89.83 37.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -48.11 -38.6 18.11 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 109.578 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 27.6 t -56.81 -16.22 6.19 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.505 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 16.6 t80 -50.89 -38.6 50.65 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.61 -11.7 54.65 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.607 ' CG ' HG22 ' A' ' 47' ' ' VAL . 15.2 p-10 -58.12 -42.82 86.58 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.447 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.607 HG22 ' CG ' ' A' ' 46' ' ' ASP . 6.7 m -159.43 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.242 -0.911 . . . . 0.0 110.174 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 48' ' ' GLN . 9.3 pt20 -69.06 116.31 9.36 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.8 mmmp? -90.61 -80.12 0.34 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.382 -0.824 . . . . 0.0 110.526 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.62 101.09 11.91 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.034 -1.041 . . . . 0.0 110.276 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.52 -16.56 60.83 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.97 -40.03 75.61 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -51.05 61.39 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.229 -0.919 . . . . 0.0 108.757 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -36.4 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.034 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.0 -41.3 91.79 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 121.525 -0.734 . . . . 0.0 109.471 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.6 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.38 -0.825 . . . . 0.0 109.115 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 80' ' ' ALA . 79.5 mt -60.0 -43.39 92.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.731 -0.606 . . . . 0.0 110.965 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.409 ' CE ' ' HZ3' ' A' ' 34' ' ' LYS . 25.0 mmt -60.55 -29.84 69.4 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 109.392 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -64.6 -40.06 94.83 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.36 -40.15 89.6 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.823 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 65' ' ' GLY . 4.6 mt -72.97 -26.9 61.52 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.928 -1.107 . . . . 0.0 109.181 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.93 -40.02 75.77 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.13 -39.85 87.72 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' ND2' ' CA ' ' A' ' 67' ' ' GLY . 64.0 t30 -154.24 70.81 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -59.95 -31.85 73.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 31.4 p-10 -84.58 0.59 49.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.996 . . . . 0.0 109.229 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' CA ' ' ND2' ' A' ' 64' ' ' ASN . . . -61.38 -149.71 0.01 OUTLIER Glycine 0 N--CA 1.48 1.569 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.31 159.84 43.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.467 -1.019 . . . . 0.0 110.153 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 28' ' ' LEU . 4.9 m -135.59 148.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 71' ' ' PHE . 27.1 t0 -122.31 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.125 -0.985 . . . . 0.0 110.228 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.0 OUTLIER -60.56 -49.14 78.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.586 -0.696 . . . . 0.0 111.355 -178.062 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.617 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.6 tm0? -70.25 -28.31 65.14 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.887 -1.133 . . . . 0.0 110.072 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 39.6 mt-10 -80.78 -35.14 33.56 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.288 -0.882 . . . . 0.0 108.695 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 78' ' ' VAL . 7.5 t80 -69.44 -39.12 78.0 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 109.185 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.476 HG13 HG13 ' B' ' 75' ' ' VAL . 53.2 t -75.1 -40.37 44.45 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.072 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.341 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 72' ' ' GLN . 69.1 t -72.48 -40.92 64.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 O-C-N 121.312 -0.867 . . . . 0.0 110.503 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -72.13 -39.9 68.47 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.491 -0.755 . . . . 0.0 110.384 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 74' ' ' PHE . 95.3 t -69.58 -39.37 78.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.93 -37.82 83.65 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.91 -23.34 63.21 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.93 0.871 . . . . 0.0 108.863 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 54' ' ' VAL . 2.9 tp -80.36 -35.98 34.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.647 -1.283 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' CYS . 83.6 m -69.93 -39.7 75.96 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.018 -1.051 . . . . 0.0 109.656 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.4 p -57.11 -37.17 54.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -63.29 -23.66 67.52 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.636 ' O ' ' N ' ' A' ' 87' ' ' ASN . 48.6 t -145.15 64.92 1.26 Allowed 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.13 68.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.708 0.766 . . . . 0.0 110.211 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' CYS . 98.4 m-20 -60.14 132.95 55.52 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -134.75 -90.82 0.33 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 90' ' ' TRP . 47.2 p90 -80.1 -10.13 59.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.81 -1.181 . . . . 0.0 108.955 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.6 m-90 -73.22 48.43 0.23 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.284 -0.885 . . . . 0.0 109.405 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.76 138.86 58.22 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.234 -0.916 . . . . 0.0 109.381 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -71.4 129.96 40.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.42 -0.8 . . . . 0.0 109.67 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.392 179.867 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.88 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.812 ' CB ' ' HG3' ' A' ' 40' ' ' GLU . 19.6 m -85.53 166.11 16.55 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -1.15 . . . . 0.0 109.059 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -59.98 -49.98 75.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.047 -1.033 . . . . 0.0 110.655 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.486 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 68.7 mt -73.48 -41.04 63.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.779 -1.201 . . . . 0.0 110.476 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.741 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 86.4 tt0 -61.38 -42.32 98.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.98 -1.075 . . . . 0.0 110.475 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.71 -40.05 95.94 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -40.01 77.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 111.184 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.92 -43.62 94.78 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.912 -1.117 . . . . 0.0 110.506 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.04 -40.1 88.21 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.971 -1.081 . . . . 0.0 109.282 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -60.01 -39.26 85.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.614 -0.679 . . . . 0.0 110.152 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.73 -40.03 86.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.034 -1.041 . . . . 0.0 110.118 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.09 -45.95 95.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 120.881 -1.137 . . . . 0.0 110.13 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.25 -40.66 94.89 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.017 -1.052 . . . . 0.0 111.682 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' B' ' 17' ' ' ALA . 67.4 t -61.1 -39.93 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.342 -1.474 . . . . 0.0 110.9 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -55.9 -33.32 64.53 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' B' ' 20' ' ' GLY . 43.0 t-80 -57.76 -31.91 66.96 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' B' ' 14' ' ' VAL . . . -61.1 -54.48 44.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.45 -40.86 63.85 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.85 -1.156 . . . . 0.0 110.866 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 3.4 m -103.73 19.84 19.15 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.928 -1.107 . . . . 0.0 111.165 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -57.39 -4.95 1.44 Allowed Glycine 0 N--CA 1.486 1.972 0 C-N-CA 118.605 -1.76 . . . . 0.0 109.743 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' B' ' 19' ' ' SER . 79.9 mttt -71.73 128.95 37.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' B' ' 23' ' ' GLY . 86.4 tt0 -56.54 -23.84 42.8 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . -47.84 -90.93 0.01 OUTLIER Glycine 0 N--CA 1.489 2.172 0 N-CA-C 108.63 -1.788 . . . . 0.0 108.63 178.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -102.15 100.53 10.76 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.251 -1.146 . . . . 0.0 109.716 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 26' ' ' TYR . 97.7 mttt -70.04 -28.78 65.75 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.915 -1.116 . . . . 0.0 109.199 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.435 ' O ' ' O ' ' B' ' 25' ' ' LYS . 83.8 m-85 -47.96 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.45 -0.781 . . . . 0.0 109.122 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' O ' ' OG ' ' B' ' 19' ' ' SER . 27.0 tptt -54.07 -77.01 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 118.431 -1.308 . . . . 0.0 109.021 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.626 ' O ' HG22 ' B' ' 69' ' ' VAL . 7.6 tp -171.1 -178.52 2.47 Favored 'General case' 0 C--N 1.297 -1.713 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.407 -177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 33' ' ' LEU . 4.2 m -70.42 155.33 40.84 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.399 -1.438 . . . . 0.0 109.625 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -60.03 -44.81 94.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.972 -1.08 . . . . 0.0 108.785 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' GLY . 42.8 tptt -70.16 -41.89 73.21 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.242 -0.911 . . . . 0.0 109.276 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -69.94 -37.44 75.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.735 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.1 tm? -55.43 -44.6 76.44 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.083 -1.01 . . . . 0.0 109.268 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.428 ' HB2' ' CD1' ' B' ' 61' ' ' LEU . 1.2 tppp? -66.43 -48.25 70.6 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.454 -1.404 . . . . 0.0 112.329 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 61.0 t0 -60.19 -40.0 88.47 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 120.46 -1.4 . . . . 0.0 110.08 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.85 -54.4 15.89 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.637 -0.664 . . . . 0.0 112.446 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.413 HD11 ' HE2' ' B' ' 74' ' ' PHE . 3.5 mm? -70.42 -39.85 74.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.601 -1.312 . . . . 0.0 111.676 -177.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -59.66 -28.82 67.59 Favored 'General case' 0 C--N 1.281 -2.372 0 C-N-CA 119.368 -0.933 . . . . 0.0 108.7 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.2 m -79.04 -43.65 23.81 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.809 ' HG3' ' CB ' ' A' ' 2' ' ' SER . 78.9 tt0 -60.36 -39.29 86.66 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 44' ' ' PHE . 44.6 mt -89.99 37.49 0.89 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.2 t -47.97 -39.27 18.95 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.44 -0.787 . . . . 0.0 109.577 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.495 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 27.2 t -56.74 -16.05 5.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 15.8 t80 -51.03 -38.82 53.75 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.97 -12.24 53.47 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.61 ' CG ' HG22 ' B' ' 47' ' ' VAL . 15.2 p-10 -57.98 -43.03 86.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.093 -1.004 . . . . 0.0 109.628 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.61 HG22 ' CG ' ' B' ' 46' ' ' ASP . 6.9 m -159.22 93.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.939 . . . . 0.0 110.114 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' B' ' 48' ' ' GLN . 8.8 pt20 -69.16 116.17 9.3 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' B' ' 84' ' ' ALA . 1.7 mmmp? -90.83 -80.0 0.35 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.424 -0.797 . . . . 0.0 110.461 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -100.47 101.21 12.09 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.083 -1.01 . . . . 0.0 110.185 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.68 -16.54 60.76 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.01 -40.0 75.51 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.688 -0.633 . . . . 0.0 109.391 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.2 60.63 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.276 -0.89 . . . . 0.0 108.836 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.504 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.87 -36.48 66.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -60.09 -41.15 91.87 Favored 'General case' 0 C--N 1.29 -2.009 0 O-C-N 121.579 -0.7 . . . . 0.0 109.335 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -63.76 -39.99 95.6 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.903 0.859 . . . . 0.0 109.103 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' B' ' 80' ' ' ALA . 78.4 mt -60.13 -43.08 92.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.611 -0.681 . . . . 0.0 111.009 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.73 -29.8 69.59 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -64.79 -40.03 94.58 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.508 -0.745 . . . . 0.0 110.291 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.34 -40.04 89.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.692 -1.255 . . . . 0.0 110.844 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 65' ' ' GLY . 4.6 mt -73.0 -26.88 61.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.928 -1.107 . . . . 0.0 109.11 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.1 -40.04 75.18 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.88 -40.1 87.53 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' OD1' ' B' ' 66' ' ' ASP . 64.1 t30 -154.16 70.59 0.81 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -59.95 -31.49 72.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 29.8 p-10 -84.79 0.49 50.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.447 -1.031 . . . . 0.0 109.281 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.435 ' CA ' ' ND2' ' B' ' 64' ' ' ASN . . . -61.68 -149.43 0.02 OUTLIER Glycine 0 N--CA 1.481 1.647 0 N-CA-C 109.083 -1.607 . . . . 0.0 109.083 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -147.25 159.9 43.12 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.478 -1.013 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.2 m -135.58 148.21 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 26.9 t0 -122.36 -157.5 0.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.1 p90 -60.53 -49.22 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.591 -0.693 . . . . 0.0 111.37 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 9.7 tm0? -70.1 -28.54 65.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.899 -1.126 . . . . 0.0 110.096 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.495 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 37.8 mt-10 -80.82 -34.75 33.69 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.11 -0.994 . . . . 0.0 108.724 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.503 ' O ' HG23 ' B' ' 78' ' ' VAL . 6.2 t80 -69.89 -38.93 76.48 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.844 0.83 . . . . 0.0 109.171 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.476 HG13 HG13 ' A' ' 75' ' ' VAL . 50.3 t -75.24 -40.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.062 0 O-C-N 121.51 -0.744 . . . . 0.0 111.378 -177.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.62 -40.74 62.71 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.144 -0.973 . . . . 0.0 110.565 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.28 -39.67 68.17 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 110.273 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 74' ' ' PHE . 89.6 t -69.99 -38.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.469 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -61.16 -37.77 84.08 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.589 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -70.06 -23.66 63.12 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.787 0.803 . . . . 0.0 108.886 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.46 HD12 HG22 ' B' ' 54' ' ' VAL . 3.7 tp -79.97 -35.94 36.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 109.429 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' C ' ' B' ' 85' ' ' CYS . 86.4 m -70.03 -39.92 75.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.965 -1.085 . . . . 0.0 109.613 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -56.55 -37.58 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -63.08 -23.48 67.46 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' B' ' 87' ' ' ASN . 48.6 t -145.6 64.74 1.24 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -58.04 67.92 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.714 0.768 . . . . 0.0 110.184 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.63 ' N ' ' O ' ' B' ' 85' ' ' CYS . 98.3 m-20 -59.95 133.13 55.8 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -134.69 -90.83 0.33 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.537 ' CZ ' ' CE2' ' B' ' 90' ' ' TRP . 47.5 p90 -80.12 -9.98 59.74 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.79 -1.194 . . . . 0.0 108.995 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.537 ' CE2' ' CZ ' ' B' ' 89' ' ' PHE . 4.7 m-90 -73.23 47.98 0.22 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.135 -0.978 . . . . 0.0 109.469 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -64.42 139.39 58.76 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.286 -0.884 . . . . 0.0 109.526 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.11 130.2 40.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.411 -0.806 . . . . 0.0 109.649 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.403 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.967 0 N-CA-C 119.548 2.579 . . . . 0.0 119.548 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.952 ' CB ' ' OE2' ' B' ' 40' ' ' GLU . 72.2 p -81.19 164.43 22.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.306 -1.114 . . . . 0.0 109.378 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.0 mp0 -60.31 -40.24 89.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.928 . . . . 0.0 109.956 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.688 ' HG ' HD22 ' B' ' 37' ' ' LEU . 2.8 mm? -78.39 -51.88 9.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.068 -1.02 . . . . 0.0 110.58 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.97 -39.92 87.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.28 -0.888 . . . . 0.0 109.416 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -39.97 87.63 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.217 -0.927 . . . . 0.0 109.929 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.69 89.86 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.236 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.76 91.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.098 -1.001 . . . . 0.0 109.468 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.97 -39.42 85.59 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 0.0 109.316 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -59.79 -37.58 79.52 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.47 -0.769 . . . . 0.0 109.011 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' O ' ' CE2' ' A' ' 15' ' ' PHE . 80.0 mt -58.28 -36.38 73.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.443 -0.786 . . . . 0.0 109.305 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mm -60.05 -40.09 82.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 120.978 -1.077 . . . . 0.0 108.816 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -70.15 -28.47 65.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.186 -0.946 . . . . 0.0 110.689 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.02 -49.93 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.871 -1.143 . . . . 0.0 110.411 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' SER . 10.0 m-85 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.509 -0.745 . . . . 0.0 109.165 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -60.09 -39.25 85.48 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -57.89 4.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.317 -0.864 . . . . 0.0 112.527 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CG ' HD21 ' A' ' 36' ' ' LEU . 81.4 m-70 -102.26 -0.01 33.66 Favored 'General case' 0 N--CA 1.514 2.739 0 O-C-N 120.725 -1.234 . . . . 0.0 112.05 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.5 m -139.19 12.41 2.6 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.613 -1.305 . . . . 0.0 109.864 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 22' ' ' GLU . . . -80.38 9.62 47.91 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 23' ' ' GLY . 79.4 tttt -58.4 -9.76 1.75 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.224 -1.162 . . . . 0.0 108.308 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 20' ' ' GLY . 61.6 tt0 72.96 -15.63 0.51 Allowed 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.865 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -78.59 -70.32 1.32 Allowed Glycine 0 N--CA 1.489 2.189 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -99.83 95.01 6.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.479 -1.012 . . . . 0.0 108.331 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.31 -39.93 77.97 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.413 -0.804 . . . . 0.0 109.6 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 27' ' ' LYS . 36.8 p90 -54.16 165.61 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 43.9 tptt -50.76 -91.79 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.62 -1.3 . . . . 0.0 109.667 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 176.41 -176.27 0.12 Allowed 'General case' 0 N--CA 1.511 2.625 0 O-C-N 120.916 -1.115 . . . . 0.0 110.667 179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -49.3 144.55 5.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.684 -1.26 . . . . 0.0 109.612 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HG2' HG13 ' A' ' 69' ' ' VAL . 12.3 mtmm -62.49 -42.04 99.22 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.481 -0.762 . . . . 0.0 112.2 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -62.91 -42.14 99.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.362 -1.461 . . . . 0.0 110.285 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.66 -31.35 68.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.055 -1.028 . . . . 0.0 109.364 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.735 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -59.99 -43.73 94.97 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 109.281 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HZ3' ' HG2' ' A' ' 58' ' ' MET . 3.9 tmtp? -66.22 -53.03 42.0 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.721 -1.237 . . . . 0.0 112.123 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.09 -39.01 84.63 Favored 'General case' 0 C--N 1.289 -2.039 0 O-C-N 120.634 -1.291 . . . . 0.0 110.113 -177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 18' ' ' HIS . 61.0 tp -63.59 -56.46 15.69 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.562 -0.711 . . . . 0.0 112.229 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.72 HD22 ' HG ' ' B' ' 4' ' ' LEU . 87.7 mt -75.62 -35.82 60.38 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.396 -1.44 . . . . 0.0 112.366 -177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.3 -32.83 50.72 Favored 'General case' 0 C--N 1.285 -2.212 0 O-C-N 120.869 -1.144 . . . . 0.0 108.376 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.9 m -73.65 -41.18 63.06 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.072 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.949 ' OE2' ' CB ' ' B' ' 2' ' ' SER . 33.0 tp10 -69.95 -38.56 76.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -0.818 . . . . 0.0 108.899 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD13 HD22 ' A' ' 81' ' ' LEU . 64.4 mt -87.36 34.15 0.69 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.6 t -60.17 -39.98 88.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.45 -0.781 . . . . 0.0 110.639 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 92' ' ' ASN . 39.6 t -58.61 -30.33 67.15 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.111 -0.993 . . . . 0.0 108.431 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 46.4 m-85 -69.74 -34.95 74.54 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.34 -1.5 4.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' PHE . 57.8 t0 -59.98 -42.61 94.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.274 -0.891 . . . . 0.0 108.915 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG2' HD22 ' A' ' 87' ' ' ASN . 2.5 m -150.65 87.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.234 -0.917 . . . . 0.0 109.714 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -68.93 117.86 11.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.176 -0.952 . . . . 0.0 108.931 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 84' ' ' ALA . 67.1 mmtt -80.01 -69.88 0.56 Allowed 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -98.35 87.78 3.97 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.167 0.984 . . . . 0.0 108.371 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -19.55 64.83 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -68.28 -39.74 82.04 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.59 77.1 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.978 -1.076 . . . . 0.0 108.356 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.569 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.36 -35.53 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -60.9 -40.01 91.48 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.784 -0.572 . . . . 0.0 111.266 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 4.1 mptp? -67.76 -40.03 84.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.957 -1.09 . . . . 0.0 109.664 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.95 -41.51 86.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.494 ' HG2' ' HZ3' ' A' ' 34' ' ' LYS . 37.6 mtt -63.0 -25.82 68.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -60.36 -40.78 91.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 110.629 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 50.4 mp0 -70.39 -39.78 74.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -72.09 -23.63 61.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.045 -1.034 . . . . 0.0 110.162 -178.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.58 -30.24 18.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.587 -1.321 . . . . 0.0 109.257 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -83.59 -25.59 30.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.551 -0.718 . . . . 0.0 109.464 -179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' OD1' ' OE2' ' A' ' 63' ' ' GLU . 7.0 m120 -139.66 37.74 2.02 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.98 -29.16 13.82 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -79.02 -5.04 52.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.409 -1.053 . . . . 0.0 109.38 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.86 -160.64 9.54 Favored Glycine 0 N--CA 1.475 1.261 0 N-CA-C 108.669 -1.773 . . . . 0.0 108.669 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -143.44 159.99 41.38 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.605 -0.938 . . . . 0.0 110.132 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG13 ' HG2' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -129.07 149.35 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 27.5 t0 -120.95 -161.8 0.92 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.418 -0.801 . . . . 0.0 109.994 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -60.06 -48.42 81.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.355 -0.84 . . . . 0.0 111.745 -177.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.777 ' OE1' ' HB ' ' B' ' 83' ' ' VAL . 62.1 tt0 -70.01 -29.15 66.14 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 109.49 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 27.1 mt-10 -77.36 -39.78 46.24 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.371 -0.831 . . . . 0.0 109.458 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -69.94 -35.0 74.17 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.493 -0.754 . . . . 0.0 109.116 179.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' B' ' 79' ' ' ALA . 46.2 t -73.39 -40.6 56.55 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 O-C-N 121.648 -0.657 . . . . 0.0 110.873 -178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.6 t -71.58 -40.07 70.78 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 O-C-N 121.523 -0.736 . . . . 0.0 110.254 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.0 tt -70.7 -40.18 73.01 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.71 -0.619 . . . . 0.0 110.7 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 74' ' ' PHE . 73.6 t -72.05 -40.05 66.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.642 -0.662 . . . . 0.0 110.054 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.79 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.21 -38.11 89.87 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.832 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -65.19 -38.87 91.84 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 41' ' ' LEU . 7.3 tt -60.58 -40.15 90.67 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.893 -1.13 . . . . 0.0 109.789 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -60.01 -39.83 87.16 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.062 -1.023 . . . . 0.0 109.388 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.832 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.3 p -53.8 -33.39 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 108.869 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -67.43 -21.61 65.56 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.598 ' C ' ' H ' ' A' ' 87' ' ' ASN . 32.2 t -139.69 57.98 1.62 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.7 p30 -70.78 18.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.65 -1.281 . . . . 0.0 108.922 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.598 ' H ' ' C ' ' A' ' 85' ' ' CYS . 31.8 p-10 -58.49 131.26 50.22 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.119 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.569 ' CD1' ' N ' ' A' ' 89' ' ' PHE . 50.0 p90 -110.1 -39.26 5.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.146 -0.971 . . . . 0.0 108.651 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 55.9 t80 -69.92 -39.06 76.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.545 -0.722 . . . . 0.0 109.824 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.407 ' HB2' HD22 ' A' ' 87' ' ' ASN . 12.3 m-90 -88.95 43.47 1.15 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.075 -1.016 . . . . 0.0 110.525 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -94.71 108.61 20.6 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.475 ' N ' ' OG ' ' A' ' 43' ' ' SER . 29.4 m120 -79.53 154.58 28.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.045 -1.034 . . . . 0.0 109.544 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 117.905 -1.045 . . . . 0.0 109.289 -179.698 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.262 2.465 . . . . 0.0 119.262 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.949 ' CB ' ' OE2' ' A' ' 40' ' ' GLU . 67.4 p -81.15 164.49 22.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -1.139 . . . . 0.0 109.419 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 56.3 mp0 -60.56 -39.99 89.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 110.012 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.72 ' HG ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -78.53 -51.64 9.66 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.124 -0.985 . . . . 0.0 110.659 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.274 -0.891 . . . . 0.0 109.428 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -60.09 -39.97 87.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.902 . . . . 0.0 109.74 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.09 91.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 0.0 109.936 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -39.86 89.85 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.97 -39.48 85.83 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.275 -0.891 . . . . 0.0 109.472 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.75 -37.51 79.17 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.412 ' O ' ' CE2' ' B' ' 15' ' ' PHE . 76.8 mt -58.67 -36.18 73.75 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.081 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mm -59.94 -40.14 82.1 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 120.838 -1.164 . . . . 0.0 108.817 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -70.03 -28.4 65.45 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.171 -0.955 . . . . 0.0 110.735 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.13 -49.31 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.789 -1.194 . . . . 0.0 110.503 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' B' ' 11' ' ' LEU . 10.1 m-85 -68.9 -27.3 65.65 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.408 -0.808 . . . . 0.0 109.112 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.11 -38.91 84.42 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.39 -58.08 4.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.118 -0.989 . . . . 0.0 112.367 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -101.89 -0.17 34.44 Favored 'General case' 0 N--CA 1.514 2.765 0 O-C-N 120.7 -1.25 . . . . 0.0 112.201 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.404 ' N ' ' O ' ' B' ' 15' ' ' PHE . 5.5 m -139.08 12.87 2.63 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.688 -1.258 . . . . 0.0 109.892 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' B' ' 22' ' ' GLU . . . -80.84 9.29 53.1 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' B' ' 23' ' ' GLY . 78.3 tttt -57.65 -10.09 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.153 -1.204 . . . . 0.0 108.265 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' B' ' 20' ' ' GLY . 61.5 tt0 73.31 -15.73 0.53 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.818 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -78.62 -70.56 1.31 Allowed Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.701 -2.16 . . . . 0.0 107.701 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -99.41 94.91 6.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -1.025 . . . . 0.0 108.418 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.26 -39.88 78.15 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.263 -0.898 . . . . 0.0 109.568 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 37.0 p90 -54.17 165.74 0.47 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 43.3 tptt -50.77 -91.44 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.539 -1.351 . . . . 0.0 109.637 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 176.09 -176.3 0.12 Allowed 'General case' 0 N--CA 1.514 2.726 0 O-C-N 120.876 -1.14 . . . . 0.0 110.657 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.7 t -49.07 144.83 4.54 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.727 -1.233 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.6 ' HG2' HG13 ' B' ' 69' ' ' VAL . 12.7 mtmm -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.402 -0.811 . . . . 0.0 112.219 -177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.9 -41.94 99.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.361 -1.462 . . . . 0.0 110.296 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.77 -31.45 68.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.072 -1.018 . . . . 0.0 109.391 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.724 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.1 tm? -59.79 -43.95 94.16 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.967 -1.083 . . . . 0.0 109.377 178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.477 ' HZ3' ' HG2' ' B' ' 58' ' ' MET . 3.9 tmtp? -66.15 -53.07 42.16 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.725 -1.234 . . . . 0.0 112.164 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.89 -39.06 84.07 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 120.577 -1.327 . . . . 0.0 110.083 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.76 -56.3 16.59 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.547 -0.72 . . . . 0.0 112.2 -177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.688 HD22 ' HG ' ' A' ' 4' ' ' LEU . 90.2 mt -75.58 -36.2 60.42 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.297 -1.502 . . . . 0.0 112.419 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -53.17 -32.74 49.36 Favored 'General case' 0 C--N 1.284 -2.25 0 O-C-N 121.052 -1.03 . . . . 0.0 108.325 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 71.9 m -73.58 -41.15 63.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.488 -0.758 . . . . 0.0 108.992 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.952 ' OE2' ' CB ' ' A' ' 2' ' ' SER . 32.5 tp10 -70.1 -38.67 75.7 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 108.896 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.424 HD13 HD22 ' B' ' 81' ' ' LEU . 70.3 mt -87.2 34.05 0.68 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 38.5 t -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.382 -0.824 . . . . 0.0 110.765 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' B' ' 92' ' ' ASN . 36.8 t -58.65 -30.64 67.47 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.567 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 47.2 m-85 -69.74 -34.42 73.82 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.85 -1.57 5.77 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' B' ' 44' ' ' PHE . 58.7 t0 -59.84 -42.59 93.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 108.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.449 ' CG2' HD22 ' B' ' 87' ' ' ASN . 2.6 m -150.79 87.47 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.245 -0.909 . . . . 0.0 109.828 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -68.97 117.92 11.23 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 108.857 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' B' ' 84' ' ' ALA . 67.6 mmtt -80.09 -70.01 0.55 Allowed 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -98.25 87.56 3.94 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 122.062 0.934 . . . . 0.0 108.518 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.0 -19.21 64.9 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -68.57 -39.72 80.88 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.45 77.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.037 -1.039 . . . . 0.0 108.452 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.578 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.38 -35.55 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.461 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -61.01 -40.05 92.09 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.433 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 4.1 mptp? -67.78 -39.7 84.05 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.791 -1.193 . . . . 0.0 109.672 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.02 -41.41 86.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.477 ' HG2' ' HZ3' ' B' ' 34' ' ' LYS . 37.4 mtt -63.26 -25.59 68.39 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.23 -0.918 . . . . 0.0 109.376 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -60.74 -40.27 91.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.289 -0.882 . . . . 0.0 110.652 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 50.8 mp0 -70.69 -39.62 73.39 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.764 -1.21 . . . . 0.0 111.003 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.49 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 0.4 OUTLIER -72.21 -23.64 61.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.077 -1.015 . . . . 0.0 110.05 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -89.54 -30.33 18.29 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.576 -1.327 . . . . 0.0 109.271 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.451 ' OE2' ' OD1' ' B' ' 64' ' ' ASN . 0.1 OUTLIER -83.44 -25.75 30.95 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.441 -0.787 . . . . 0.0 109.426 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.451 ' OD1' ' OE2' ' B' ' 63' ' ' GLU . 7.2 m120 -139.65 37.91 2.02 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -29.83 15.08 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -78.15 -5.32 51.32 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.407 -1.054 . . . . 0.0 109.463 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.92 -160.33 9.36 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 108.745 -1.742 . . . . 0.0 108.745 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -143.6 159.85 41.7 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.662 -0.905 . . . . 0.0 110.134 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.6 HG13 ' HG2' ' B' ' 30' ' ' LYS . 0.6 OUTLIER -128.88 149.48 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 27.8 t0 -121.06 -161.91 0.93 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.441 -0.787 . . . . 0.0 109.962 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -60.0 -48.33 82.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.358 -0.839 . . . . 0.0 111.853 -177.318 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.798 ' OE1' ' HB ' ' A' ' 83' ' ' VAL . 60.4 tt0 -70.02 -28.99 65.93 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.674 -1.266 . . . . 0.0 109.386 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.479 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 26.9 mt-10 -77.56 -39.72 44.88 Favored 'General case' 0 C--N 1.293 -1.868 0 O-C-N 121.293 -0.879 . . . . 0.0 109.443 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.408 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -69.99 -35.09 74.14 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.506 -0.746 . . . . 0.0 109.113 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.79 HG11 ' HB2' ' A' ' 79' ' ' ALA . 48.9 t -73.24 -40.69 57.7 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 CA-C-O 121.427 0.632 . . . . 0.0 110.763 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.1 t -71.6 -40.01 70.51 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.488 -0.758 . . . . 0.0 110.387 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.483 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.8 tt -70.63 -39.94 73.39 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.597 -0.689 . . . . 0.0 110.699 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 74' ' ' PHE . 73.9 t -72.37 -40.1 64.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.606 -0.684 . . . . 0.0 109.915 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.769 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -63.16 -37.97 89.31 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.829 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.424 HD22 HD13 ' B' ' 41' ' ' LEU . 7.3 tt -61.14 -39.95 92.01 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.889 -1.132 . . . . 0.0 109.872 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.7 m -59.97 -40.04 87.74 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.006 -1.059 . . . . 0.0 109.373 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.829 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.1 p -53.47 -33.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.224 -0.923 . . . . 0.0 108.803 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.614 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -67.26 -21.48 65.72 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.576 ' C ' ' H ' ' B' ' 87' ' ' ASN . 32.7 t -140.1 57.95 1.6 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -70.96 19.35 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.67 -1.269 . . . . 0.0 108.818 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.576 ' H ' ' C ' ' B' ' 85' ' ' CYS . 31.5 p-10 -58.76 131.6 51.41 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.648 -0.658 . . . . 0.0 109.944 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' B' ' 89' ' ' PHE . 50.2 p90 -110.35 -39.31 4.99 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.289 -0.882 . . . . 0.0 108.683 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' B' ' 88' ' ' PHE . 56.3 t80 -70.01 -38.6 75.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.373 -0.829 . . . . 0.0 110.006 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.426 ' HB2' HD22 ' B' ' 87' ' ' ASN . 12.0 m-90 -89.23 43.73 1.17 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.194 -0.941 . . . . 0.0 110.41 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -95.27 107.96 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' B' ' 43' ' ' SER . 28.8 m120 -78.49 154.6 30.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.173 -0.955 . . . . 0.0 109.672 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.341 -179.529 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.826 0 N-CA-C 119.641 2.616 . . . . 0.0 119.641 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -92.55 -0.2 57.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.109 -1.23 . . . . 0.0 110.041 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.049 -1.032 . . . . 0.0 108.717 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.75 ' HB2' ' CD ' ' B' ' 40' ' ' GLU . 31.3 mt -69.19 -39.99 78.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.568 -0.708 . . . . 0.0 109.439 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 88.7 tt0 -65.15 -39.97 93.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.75 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.95 -39.96 87.37 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.362 -0.836 . . . . 0.0 110.0 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.01 -44.63 94.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.213 -0.929 . . . . 0.0 110.167 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.4 mmm -59.99 -38.88 83.87 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.156 -0.965 . . . . 0.0 109.976 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.02 87.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.462 -1.399 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -63.08 -37.94 89.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.425 -0.797 . . . . 0.0 108.961 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 7' ' ' ALA . 8.7 mp -60.01 -40.0 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.429 -0.794 . . . . 0.0 109.332 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.15 -45.04 96.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.021 -1.049 . . . . 0.0 109.793 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.25 -45.7 92.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 112.005 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.65 -38.49 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.707 -1.246 . . . . 0.0 110.539 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.02 -39.62 82.47 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' O ' ' N ' ' A' ' 20' ' ' GLY . 38.4 t-80 -60.01 -33.93 72.66 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.76 -0.588 . . . . 0.0 109.885 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.96 -54.84 41.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.942 -1.099 . . . . 0.0 110.437 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -74.39 -40.37 62.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.722 -1.236 . . . . 0.0 110.397 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -80.05 -19.06 48.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.0 110.662 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -60.01 -40.12 96.58 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.268 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -76.67 -9.08 58.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.948 -1.324 . . . . 0.0 109.516 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -84.24 130.0 34.85 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.0 -37.45 58.33 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -88.45 125.05 34.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.368 -1.078 . . . . 0.0 108.512 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.04 -29.27 68.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.632 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LYS . 4.0 m-85 -50.0 164.21 0.12 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 27.4 tptt -49.89 -89.5 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.704 -1.247 . . . . 0.0 108.78 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -179.8 -178.12 0.43 Allowed 'General case' 0 N--CA 1.512 2.641 0 O-C-N 120.877 -1.139 . . . . 0.0 111.738 178.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -53.25 148.86 7.89 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.426 -0.796 . . . . 0.0 111.181 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -60.09 -39.8 87.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.763 -0.586 . . . . 0.0 111.505 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -60.03 -42.56 94.63 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 119.983 -1.698 . . . . 0.0 108.566 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.661 HD11 HD11 ' A' ' 37' ' ' LEU . 2.7 tm? -48.61 -48.91 38.91 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.648 -0.658 . . . . 0.0 109.638 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -53.56 53.27 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.515 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -50.1 -29.94 10.0 Favored 'General case' 0 C--N 1.288 -2.101 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.355 -177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' A' ' 28' ' ' LEU . 85.8 mt -76.08 -58.12 3.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 111.862 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -60.04 -51.54 69.18 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 120.505 -1.372 . . . . 0.0 110.713 -178.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -57.81 -20.22 34.21 Favored 'General case' 0 C--N 1.279 -2.474 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.252 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.66 -34.9 16.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.442 -0.786 . . . . 0.0 110.825 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.886 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 9.7 pt-20 -81.57 -10.04 59.54 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.806 -1.184 . . . . 0.0 109.456 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.9 mt -108.13 45.32 1.02 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 8.3 t -45.35 -36.15 4.01 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.736 -1.228 . . . . 0.0 109.972 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 28.6 t -70.82 -14.41 62.4 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.99 -1.069 . . . . 0.0 109.88 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -58.94 -45.73 89.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.269 -1.52 . . . . 0.0 108.577 -179.452 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -65.47 -8.92 21.63 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.822 -1.174 . . . . 0.0 108.43 179.2 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 43' ' ' SER . 49.4 t0 -60.11 -40.06 88.38 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.228 -0.92 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.2 p -164.26 75.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 111.634 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -69.85 122.57 19.51 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.635 -1.291 . . . . 0.0 108.256 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 84' ' ' ALA . 29.1 mtpt -107.46 -46.03 3.94 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.576 -0.702 . . . . 0.0 111.222 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.07 100.06 10.87 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 120.87 -1.144 . . . . 0.0 110.521 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -18.47 55.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.73 -0.606 . . . . 0.0 109.915 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.02 -39.85 75.57 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.434 -0.792 . . . . 0.0 109.588 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -50.24 63.0 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.988 -1.07 . . . . 0.0 108.333 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 84' ' ' ALA . 84.6 t -56.49 -39.0 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 48.3 t0 -60.1 -39.99 88.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.602 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -39.91 86.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.928 -1.108 . . . . 0.0 109.001 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 80' ' ' ALA . 74.4 mt -59.97 -42.55 89.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 O-C-N 121.017 -1.052 . . . . 0.0 109.228 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.0 mmt -63.8 -24.24 67.68 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.339 -0.851 . . . . 0.0 109.722 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.99 -39.92 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.063 -1.023 . . . . 0.0 110.816 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -72.75 -39.72 66.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.688 -1.257 . . . . 0.0 110.728 -178.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.31 -22.29 48.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.556 -1.34 . . . . 0.0 110.031 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.36 -36.17 22.69 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.232 -0.918 . . . . 0.0 108.866 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.53 -26.66 51.25 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.01 60.69 0.72 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.499 -0.751 . . . . 0.0 109.73 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.03 -34.51 83.86 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -79.46 -0.98 35.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -1.147 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.99 -146.6 0.18 Allowed Glycine 0 N--CA 1.486 1.978 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.4 159.54 39.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.27 -1.135 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 28' ' ' LEU . 2.5 m -133.11 154.39 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 32.4 t0 -118.08 -164.15 0.99 Allowed 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.325 -0.859 . . . . 0.0 109.659 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -59.99 -47.15 87.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.392 -0.818 . . . . 0.0 111.129 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.577 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.2 tm0? -69.77 -32.91 71.67 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.179 -0.95 . . . . 0.0 109.649 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.507 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 79.0 mm-40 -69.97 -40.02 75.62 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 108.737 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.706 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.0 t80 -67.12 -33.69 76.0 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.845 0.831 . . . . 0.0 109.305 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.4 t -74.18 -40.01 50.44 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 O-C-N 121.045 -1.034 . . . . 0.0 111.207 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.68 -45.15 75.35 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.017 0 O-C-N 121.638 -0.664 . . . . 0.0 110.916 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.14 -35.41 74.03 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 74' ' ' PHE . 99.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.06 82.04 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HB3' HD11 ' A' ' 57' ' ' ILE . . . -65.16 -33.12 75.26 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.662 0.744 . . . . 0.0 109.2 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.625 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 0.2 OUTLIER -67.59 -42.1 83.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.766 -1.209 . . . . 0.0 108.361 179.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 5.3 m -62.31 -36.41 82.06 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.806 -1.183 . . . . 0.0 109.263 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 t -50.08 -31.97 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -60.98 -40.15 92.35 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.592 ' C ' ' H ' ' A' ' 87' ' ' ASN . 19.7 p -128.45 47.47 2.43 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -61.89 2.92 0.18 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 85' ' ' CYS . 10.6 t-20 -55.11 118.06 4.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.673 -0.642 . . . . 0.0 110.107 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -80.37 -13.98 58.71 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.631 ' O ' ' N ' ' A' ' 91' ' ' GLU . 96.9 m-85 -90.88 6.02 46.2 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.568 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -59.89 46.42 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.759 -0.588 . . . . 0.0 111.526 -179.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 89' ' ' PHE . 86.1 tt0 -63.56 130.74 45.59 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.753 -1.217 . . . . 0.0 108.694 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -99.07 115.39 28.88 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.203 -0.936 . . . . 0.0 109.254 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.526 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.574 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.886 0 N-CA-C 119.59 2.596 . . . . 0.0 119.59 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -92.56 -0.19 57.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.191 -1.182 . . . . 0.0 109.972 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.999 -1.063 . . . . 0.0 108.697 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.795 ' HB2' ' CD ' ' A' ' 40' ' ' GLU . 28.4 mt -69.14 -39.99 78.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.423 -0.798 . . . . 0.0 109.429 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.886 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 88.6 tt0 -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.308 -0.87 . . . . 0.0 109.79 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -59.99 -40.0 87.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.33 -0.856 . . . . 0.0 109.918 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.435 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -59.9 -44.64 94.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 110.228 -179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 77.6 mmm -60.08 -38.81 84.01 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.086 -1.009 . . . . 0.0 109.876 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.511 -1.368 . . . . 0.0 108.633 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.15 -37.96 89.28 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.435 HD13 ' O ' ' B' ' 7' ' ' ALA . 8.7 mp -60.01 -39.97 87.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.467 -0.77 . . . . 0.0 109.356 -179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mm -60.25 -45.03 96.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 121.04 -1.037 . . . . 0.0 109.805 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.1 -45.9 91.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.275 -0.891 . . . . 0.0 111.953 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.43 -38.61 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.74 -1.225 . . . . 0.0 110.563 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -59.09 -39.59 82.67 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' B' ' 20' ' ' GLY . 38.3 t-80 -59.97 -34.13 72.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.811 -0.556 . . . . 0.0 109.859 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.9 -54.94 40.24 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.966 -1.084 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.3 -40.06 62.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.599 -1.313 . . . . 0.0 110.433 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 m -80.28 -19.1 47.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.159 -0.963 . . . . 0.0 110.788 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.95 -40.16 96.55 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.686 -1.245 . . . . 0.0 110.243 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.444 ' HB3' ' HZ3' ' B' ' 21' ' ' LYS . 9.4 mmmm -76.66 -9.08 58.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.968 -1.313 . . . . 0.0 109.561 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -84.26 130.04 34.84 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.33 58.89 Favored Glycine 0 N--CA 1.485 1.964 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -88.37 125.06 34.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -1.061 . . . . 0.0 108.496 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -60.04 -29.34 68.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.292 -0.88 . . . . 0.0 109.679 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' B' ' 27' ' ' LYS . 4.0 m-85 -49.87 164.12 0.11 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.53 ' NZ ' ' CE2' ' B' ' 74' ' ' PHE . 27.8 tptt -49.82 -89.59 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.624 -1.298 . . . . 0.0 108.738 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' B' ' 36' ' ' LEU . 0.0 OUTLIER -179.73 -178.23 0.44 Allowed 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.879 -1.138 . . . . 0.0 111.704 178.719 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -53.05 148.96 7.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.366 -0.834 . . . . 0.0 111.276 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -60.06 -39.81 87.32 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.71 -0.619 . . . . 0.0 111.511 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.1 -42.51 94.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.055 -1.653 . . . . 0.0 108.555 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.26 -39.96 74.66 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.645 HD11 HD11 ' B' ' 37' ' ' LEU . 2.6 tm? -48.76 -48.67 40.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.705 -0.622 . . . . 0.0 109.733 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -53.38 55.55 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 118.496 -1.281 . . . . 0.0 110.471 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -50.09 -29.95 10.01 Favored 'General case' 0 C--N 1.289 -2.046 0 C-N-CA 118.764 -1.175 . . . . 0.0 110.465 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' B' ' 28' ' ' LEU . 87.9 mt -76.27 -58.0 3.54 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.177 -0.952 . . . . 0.0 111.884 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.65 HD13 HG22 ' B' ' 78' ' ' VAL . 0.3 OUTLIER -59.99 -51.54 69.24 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.512 -1.368 . . . . 0.0 110.77 -178.463 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -57.88 -20.08 34.19 Favored 'General case' 0 C--N 1.28 -2.438 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.379 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -89.73 -34.75 16.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.595 -0.691 . . . . 0.0 110.755 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.871 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 9.7 pt-20 -81.73 -10.04 59.48 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.849 -1.157 . . . . 0.0 109.342 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 42' ' ' SER . 87.8 mt -108.13 45.31 1.03 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 8.3 t -45.41 -36.27 4.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.751 -1.218 . . . . 0.0 109.913 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 23.8 t -70.55 -14.48 62.52 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.984 -1.072 . . . . 0.0 109.872 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' B' ' 41' ' ' LEU . 1.0 OUTLIER -58.87 -45.9 89.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.318 -1.488 . . . . 0.0 108.631 -179.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' B' ' 42' ' ' SER . 0.5 OUTLIER -65.36 -9.01 21.16 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.797 -1.189 . . . . 0.0 108.435 179.204 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' B' ' 43' ' ' SER . 49.1 t0 -59.99 -40.04 87.81 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.552 ' O ' HG13 ' B' ' 47' ' ' VAL . 7.1 p -164.46 76.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.934 -1.104 . . . . 0.0 111.563 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.83 122.66 19.68 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 120.675 -1.265 . . . . 0.0 108.144 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.542 ' N ' ' O ' ' B' ' 84' ' ' ALA . 29.5 mtpt -107.59 -45.99 3.92 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.656 -0.652 . . . . 0.0 111.126 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -100.04 100.01 10.83 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 120.855 -1.153 . . . . 0.0 110.549 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.39 55.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.638 -0.663 . . . . 0.0 109.96 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -70.04 -40.03 75.37 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.448 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -50.42 62.66 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.077 -1.014 . . . . 0.0 108.331 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' B' ' 84' ' ' ALA . 81.6 t -56.4 -39.0 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' B' ' 55' ' ' ASP . 47.9 t0 -60.13 -40.07 88.46 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -40.0 86.65 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.866 -1.146 . . . . 0.0 109.013 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' B' ' 80' ' ' ALA . 74.2 mt -59.99 -42.57 90.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.061 -1.024 . . . . 0.0 109.257 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.7 -24.35 67.74 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.36 -0.837 . . . . 0.0 109.739 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -67.94 -40.04 83.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 110.776 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 0.9 OUTLIER -72.68 -39.85 66.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.625 -1.297 . . . . 0.0 110.78 -178.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' B' ' 61' ' ' LEU . 2.7 mt -78.32 -22.28 48.36 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.601 -1.312 . . . . 0.0 110.026 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -84.37 -36.09 22.71 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.219 -0.925 . . . . 0.0 108.833 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -26.41 51.12 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.31 60.87 0.7 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.416 -0.803 . . . . 0.0 109.707 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.93 -34.97 85.41 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -79.1 -1.08 34.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -1.063 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.04 -146.75 0.19 Allowed Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -155.19 159.47 40.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -1.137 . . . . 0.0 110.609 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 28' ' ' LEU . 2.2 m -133.02 154.37 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 32.9 t0 -118.04 -164.05 0.99 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.341 -0.849 . . . . 0.0 109.664 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.0 p90 -60.12 -46.9 88.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.422 -0.799 . . . . 0.0 111.137 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.2 tm0? -70.02 -32.72 71.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.173 -0.954 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 79.5 mm-40 -70.06 -39.97 75.37 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.708 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.9 t80 -67.31 -33.79 76.0 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.854 0.835 . . . . 0.0 109.295 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 71' ' ' PHE . 54.6 t -73.99 -40.05 51.76 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.12 -0.988 . . . . 0.0 111.162 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.03 -44.87 74.92 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 121.562 -0.711 . . . . 0.0 111.002 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.39 -35.16 73.31 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.459 -0.775 . . . . 0.0 110.14 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 74' ' ' PHE . 98.6 t -69.98 -40.06 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.95 . . . . 0.0 109.758 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.32 82.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.468 ' HB3' HD11 ' B' ' 57' ' ' ILE . . . -64.83 -33.25 75.56 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.621 0.724 . . . . 0.0 109.14 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -67.53 -42.19 83.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.753 -1.217 . . . . 0.0 108.44 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.406 ' O ' ' N ' ' B' ' 85' ' ' CYS . 5.1 m -62.27 -36.48 82.19 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 120.81 -1.181 . . . . 0.0 109.261 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 t -49.98 -32.17 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.67 -40.44 92.09 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.994 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.582 ' C ' ' H ' ' B' ' 87' ' ' ASN . 20.4 p -128.2 47.37 2.43 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.684 ' N ' HD22 ' B' ' 86' ' ' ASN . 0.0 OUTLIER -61.83 2.97 0.17 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.582 ' H ' ' C ' ' B' ' 85' ' ' CYS . 10.8 t-20 -55.27 117.89 3.92 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.114 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -80.2 -14.01 58.78 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.603 ' O ' ' N ' ' B' ' 91' ' ' GLU . 96.9 m-85 -90.94 6.16 45.78 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.57 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 0.1 OUTLIER -59.97 46.1 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -179.113 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 89' ' ' PHE . 83.7 tt0 -62.94 131.77 49.82 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.72 -1.238 . . . . 0.0 108.755 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -99.81 114.79 28.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.499 -179.845 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.935 0 N-CA-C 119.854 2.702 . . . . 0.0 119.854 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -99.72 157.75 16.26 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.254 -1.145 . . . . 0.0 109.487 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 111.127 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.96 -43.79 70.81 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.063 -1.023 . . . . 0.0 112.607 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -60.71 -37.01 80.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.416 -1.428 . . . . 0.0 109.672 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.93 -38.57 82.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.907 . . . . 0.0 108.968 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.65 76.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -0.827 . . . . 0.0 109.965 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -60.02 -40.89 90.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.008 -1.057 . . . . 0.0 110.607 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.772 -1.205 . . . . 0.0 109.994 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -63.57 -40.12 96.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.0 111.526 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.47 -40.11 90.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.921 -1.112 . . . . 0.0 110.35 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.84 -42.24 95.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.122 -0.986 . . . . 0.0 109.923 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -62.54 -43.03 99.83 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.274 -0.891 . . . . 0.0 111.833 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.8 t -69.93 -38.28 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.741 -1.224 . . . . 0.0 110.92 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.3 m-30 -55.39 -39.01 69.64 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.4 t-80 -59.63 -29.42 68.0 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.11 -56.47 21.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.823 -1.173 . . . . 0.0 110.095 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.4 -40.01 58.38 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.776 -1.203 . . . . 0.0 110.388 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' LYS . 71.6 m -101.76 19.99 17.13 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.159 -0.963 . . . . 0.0 111.374 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -49.42 -9.69 0.16 Allowed Glycine 0 N--CA 1.491 2.305 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.518 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 19' ' ' SER . 88.0 tttt -65.42 119.88 11.82 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.03 -40.04 87.96 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 121.746 -0.596 . . . . 0.0 109.903 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.55 -52.84 50.54 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -102.68 58.78 0.79 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.457 -1.025 . . . . 0.0 109.336 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.989 -1.069 . . . . 0.0 109.03 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 3.3 m-85 -52.73 168.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.687 ' HB3' HG23 ' A' ' 69' ' ' VAL . 35.4 tptt -52.41 -93.39 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.445 -1.409 . . . . 0.0 109.247 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -179.96 -177.65 0.39 Allowed 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.104 -1.623 . . . . 0.0 111.022 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 p -46.63 146.86 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.113 -0.992 . . . . 0.0 109.831 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HB3' HD23 ' A' ' 61' ' ' LEU . 42.1 mtpt -60.05 -43.14 95.6 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.407 -0.808 . . . . 0.0 110.729 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -60.09 -40.96 91.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.731 -1.23 . . . . 0.0 111.561 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -81.72 -25.95 35.01 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.949 -1.094 . . . . 0.0 109.872 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -62.55 -44.46 96.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.537 -1.352 . . . . 0.0 109.373 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.988 ' N ' HD13 ' A' ' 33' ' ' LEU . 9.7 tttm -81.45 -31.91 32.84 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.478 -1.388 . . . . 0.0 111.101 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -65.35 -40.05 93.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.661 -1.275 . . . . 0.0 108.995 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.49 -55.28 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.489 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.617 HD21 ' CE2' ' A' ' 74' ' ' PHE . 7.4 mp -70.0 -22.92 63.08 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.653 -1.279 . . . . 0.0 109.271 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -60.0 -31.59 70.06 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -71.42 -43.06 67.45 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.331 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -76.1 -22.33 55.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.917 -1.114 . . . . 0.0 108.776 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.5 mt -96.44 18.79 13.25 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 45' ' ' LEU . 58.2 m -60.03 -39.55 86.29 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.594 0.711 . . . . 0.0 109.872 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -80.1 -23.77 41.02 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.305 -0.872 . . . . 0.0 109.191 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 46' ' ' ASP . 8.1 m-85 -69.63 -58.67 3.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.328 -0.858 . . . . 0.0 109.771 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -67.38 11.14 0.13 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.751 -1.218 . . . . 0.0 108.902 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 44' ' ' PHE . 39.8 t0 -59.12 -39.32 81.95 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.486 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 10.5 m -125.8 55.59 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' VAL . 26.8 mt-30 -40.04 110.67 0.15 Allowed 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 122.001 0.905 . . . . 0.0 110.619 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -79.96 -64.55 1.16 Allowed 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -98.5 99.23 10.37 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.129 -0.982 . . . . 0.0 108.598 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.6 -19.27 58.03 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.49 -0.756 . . . . 0.0 109.989 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.07 -39.97 75.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.407 -0.808 . . . . 0.0 109.33 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.78 46.82 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 109.084 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.2 t -58.3 -38.28 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -60.01 -39.93 87.51 Favored 'General case' 0 C--N 1.292 -1.911 0 CA-C-O 121.239 0.542 . . . . 0.0 109.573 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -62.71 -39.99 95.76 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 109.25 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.406 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.7 mp -61.75 -43.04 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.56 -0.712 . . . . 0.0 109.996 -179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.99 -29.0 69.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.003 -1.06 . . . . 0.0 109.491 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -65.26 -40.0 93.4 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.081 -1.012 . . . . 0.0 110.49 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.57 -40.93 66.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.473 -1.392 . . . . 0.0 110.177 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 34' ' ' LYS . 14.4 mt -70.22 -26.48 63.88 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.49 -0.756 . . . . 0.0 110.977 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -93.65 -34.72 13.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.795 -1.191 . . . . 0.0 110.607 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -65.87 -37.73 86.92 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.79 56.26 1.14 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -57.71 -16.44 23.38 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 8.5 t0 -82.42 -7.85 59.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -1.047 . . . . 0.0 110.222 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.66 -145.65 0.07 OUTLIER Glycine 0 N--CA 1.485 1.942 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -156.23 159.94 39.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -1.118 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.723 HG21 ' HG ' ' A' ' 33' ' ' LEU . 15.2 m -135.49 151.57 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 28.2 t0 -129.08 -154.15 0.62 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.276 -0.89 . . . . 0.0 109.281 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 6.7 p90 -59.78 -47.46 85.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.505 -0.747 . . . . 0.0 111.356 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.635 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 1.1 tm0? -70.7 -32.01 69.07 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.581 -1.324 . . . . 0.0 110.242 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.8 mt-10 -83.54 -32.79 25.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.992 -1.067 . . . . 0.0 108.685 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.617 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.2 t80 -69.9 -39.24 76.34 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.04 0.924 . . . . 0.0 109.036 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' B' ' 79' ' ' ALA . 42.2 t -77.78 -44.53 28.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 O-C-N 121.62 -0.675 . . . . 0.0 111.527 -177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.601 HG13 HG13 ' B' ' 76' ' ' VAL . 61.4 t -71.47 -40.94 72.85 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 O-C-N 121.125 -0.984 . . . . 0.0 110.748 -177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.26 -39.99 71.24 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.334 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.3 t -71.62 -39.38 69.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.468 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.713 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -60.21 -39.99 88.55 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 122.188 0.994 . . . . 0.0 108.669 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 81' ' ' LEU . 2.9 tt -61.51 -35.95 79.16 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.855 -1.153 . . . . 0.0 108.066 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 86' ' ' ASN . 8.9 m -58.47 -31.0 67.41 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.344 -0.847 . . . . 0.0 109.104 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' B' ' 72' ' ' GLN . 55.6 t -59.98 -41.38 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.06 -1.025 . . . . 0.0 108.815 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.03 -26.73 62.32 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.534 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.55 ' C ' ' H ' ' A' ' 87' ' ' ASN . 4.0 m -120.88 36.56 4.55 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 82' ' ' THR . 63.6 t30 -66.65 1.8 1.61 Allowed 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.607 HD22 ' N ' ' A' ' 87' ' ' ASN . 0.1 OUTLIER -51.84 130.61 29.49 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.461 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -107.66 -32.88 7.48 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.406 -0.809 . . . . 0.0 109.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 45.5 p90 -91.19 -23.73 20.14 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.237 -0.914 . . . . 0.0 111.005 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER 36.05 75.79 0.06 Allowed 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.658 -0.651 . . . . 0.0 110.167 -179.094 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -33.07 71.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.82 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -68.06 133.22 48.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.365 -0.834 . . . . 0.0 109.218 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.419 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.978 2.751 . . . . 0.0 119.978 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -99.89 157.55 16.44 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.103 -1.233 . . . . 0.0 109.464 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.33 -39.99 77.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.313 -0.867 . . . . 0.0 111.243 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.85 -43.95 70.86 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.11 -0.994 . . . . 0.0 112.565 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.8 -37.02 80.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.377 -1.452 . . . . 0.0 109.69 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -59.98 -38.5 82.72 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.263 -0.898 . . . . 0.0 108.945 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.73 -37.85 77.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.366 -0.834 . . . . 0.0 110.002 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mmt -60.1 -41.1 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.947 -1.095 . . . . 0.0 110.411 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.86 -42.1 98.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.797 -1.19 . . . . 0.0 110.028 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -63.14 -40.23 96.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.334 -0.854 . . . . 0.0 111.474 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.58 -39.91 89.8 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.827 -1.171 . . . . 0.0 110.46 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.05 -42.3 96.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.09 -1.006 . . . . 0.0 109.867 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.47 -42.83 99.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 111.923 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.93 -38.37 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.796 -1.19 . . . . 0.0 111.043 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.416 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.4 m-30 -55.32 -39.04 69.47 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.548 ' O ' ' N ' ' B' ' 20' ' ' GLY . 54.6 t-80 -59.8 -29.26 68.1 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.77 17.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.8 -1.187 . . . . 0.0 110.194 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -75.19 -39.95 59.76 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.904 -1.123 . . . . 0.0 110.444 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.523 ' O ' ' N ' ' B' ' 21' ' ' LYS . 73.3 m -101.8 20.03 17.11 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.112 -0.993 . . . . 0.0 111.324 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -49.35 -9.89 0.16 Allowed Glycine 0 N--CA 1.489 2.167 0 C-N-CA 119.429 -1.367 . . . . 0.0 110.552 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' B' ' 19' ' ' SER . 87.9 tttt -65.24 120.03 11.99 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.762 -1.434 . . . . 0.0 107.153 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.9 87.64 Favored 'General case' 0 C--N 1.291 -1.978 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.029 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.97 -52.84 51.0 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -102.63 58.99 0.79 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.482 -1.011 . . . . 0.0 109.362 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -59.99 -40.01 87.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.084 -1.01 . . . . 0.0 108.965 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 3.3 m-85 -52.71 168.66 0.11 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.686 ' HB3' HG23 ' B' ' 69' ' ' VAL . 35.7 tptt -52.25 -93.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.534 -1.354 . . . . 0.0 109.132 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.506 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -179.95 -177.41 0.38 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.174 -1.579 . . . . 0.0 111.019 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.5 p -46.63 146.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.147 -0.971 . . . . 0.0 109.807 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.463 ' HB3' HD23 ' B' ' 61' ' ' LEU . 42.4 mtpt -59.92 -43.37 94.96 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.445 -0.784 . . . . 0.0 110.705 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.96 -41.09 91.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.785 -1.197 . . . . 0.0 111.483 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -81.9 -25.88 34.61 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.958 -1.089 . . . . 0.0 109.831 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.989 HD13 ' N ' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -62.45 -44.4 96.5 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.543 -1.348 . . . . 0.0 109.429 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.989 ' N ' HD13 ' B' ' 33' ' ' LEU . 9.3 tttm -81.54 -31.85 32.52 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.39 -1.444 . . . . 0.0 111.055 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -65.35 -39.99 93.06 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.833 -1.167 . . . . 0.0 109.076 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.56 -55.38 13.66 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.451 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.636 HD21 ' CE2' ' B' ' 74' ' ' PHE . 7.3 mp -69.88 -23.21 63.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.778 -1.201 . . . . 0.0 109.343 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 26.2 tp60 -59.99 -31.19 69.69 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.9 m -71.76 -42.66 66.93 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.775 -0.578 . . . . 0.0 110.481 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -76.45 -22.01 55.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.805 -1.184 . . . . 0.0 108.694 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -97.04 19.53 12.7 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.42 ' O ' HD23 ' B' ' 45' ' ' LEU . 61.3 m -60.03 -39.9 87.46 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.704 0.764 . . . . 0.0 109.756 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -79.71 -24.13 41.88 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.281 -0.887 . . . . 0.0 109.164 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.534 ' C ' ' H ' ' B' ' 46' ' ' ASP . 8.5 m-85 -69.55 -58.69 3.64 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.746 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 42' ' ' SER . 1.3 pt? -67.01 10.56 0.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.811 -1.181 . . . . 0.0 108.865 179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' B' ' 44' ' ' PHE . 39.8 t0 -58.91 -39.3 81.11 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.473 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 11.4 m -125.8 55.49 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' B' ' 47' ' ' VAL . 27.2 mt-30 -40.06 110.84 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 122.048 0.928 . . . . 0.0 110.515 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -79.88 -64.51 1.17 Allowed 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.73 99.35 10.45 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.086 -1.009 . . . . 0.0 108.583 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.89 -19.13 57.8 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.508 -0.745 . . . . 0.0 109.949 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -69.97 -39.95 75.68 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.37 -52.4 47.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 109.046 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.436 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.2 t -58.17 -38.45 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.9 -40.0 87.3 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.251 0.548 . . . . 0.0 109.635 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.45 -40.09 95.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.35 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.414 HD11 ' HB1' ' B' ' 80' ' ' ALA . 1.7 mp -61.77 -43.05 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.025 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmt -61.14 -28.91 69.45 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.013 -1.054 . . . . 0.0 109.643 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -65.17 -40.16 93.93 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 110.334 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.27 -41.11 67.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.599 -1.313 . . . . 0.0 110.394 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 15.2 mt -70.0 -26.82 64.25 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.417 -0.802 . . . . 0.0 111.145 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -93.64 -34.3 13.34 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.913 -1.117 . . . . 0.0 110.641 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -66.15 -37.59 86.05 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.92 56.09 1.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -57.74 -16.26 22.73 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 8.5 t0 -82.49 -8.04 59.63 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.503 -0.998 . . . . 0.0 110.239 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.81 -145.6 0.07 OUTLIER Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.12 160.02 39.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.184 -1.186 . . . . 0.0 110.312 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.722 HG21 ' HG ' ' B' ' 33' ' ' LEU . 15.3 m -135.64 151.52 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 28.8 t0 -129.13 -154.38 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.275 -0.891 . . . . 0.0 109.344 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.637 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 6.5 p90 -59.45 -47.43 85.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.456 -0.777 . . . . 0.0 111.441 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.637 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 1.1 tm0? -70.62 -32.23 69.49 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.639 -1.288 . . . . 0.0 110.321 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.9 mt-10 -83.37 -32.99 25.92 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.158 -0.964 . . . . 0.0 108.718 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.636 ' CE2' HD21 ' B' ' 37' ' ' LEU . 15.8 t80 -69.99 -39.2 76.05 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 121.983 0.896 . . . . 0.0 108.984 178.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.713 HG11 ' HB2' ' A' ' 79' ' ' ALA . 42.1 t -78.03 -44.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 O-C-N 121.633 -0.667 . . . . 0.0 111.543 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.601 HG13 HG13 ' A' ' 76' ' ' VAL . 72.1 t -71.33 -41.17 74.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 O-C-N 121.047 -1.033 . . . . 0.0 110.743 -177.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 5.6 tp -71.37 -39.81 70.99 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.38 -0.825 . . . . 0.0 110.381 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 74' ' ' PHE . 59.7 t -71.56 -39.53 70.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.344 -0.848 . . . . 0.0 109.2 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.698 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -60.67 -38.59 85.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' HB1' HD11 ' B' ' 57' ' ' ILE . . . -60.0 -40.05 87.89 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 122.192 0.996 . . . . 0.0 108.693 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 81' ' ' LEU . 3.0 tt -61.64 -36.19 80.07 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.866 -1.146 . . . . 0.0 108.134 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 86' ' ' ASN . 9.0 m -58.1 -31.14 66.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.238 -0.914 . . . . 0.0 109.099 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 72' ' ' GLN . 49.7 t -59.98 -41.58 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.115 -0.99 . . . . 0.0 108.79 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -71.66 -27.08 62.82 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.366 -0.833 . . . . 0.0 109.516 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.541 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 3.9 m -120.92 36.66 4.53 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 82' ' ' THR . 64.0 t30 -66.52 1.97 1.49 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.611 ' N ' HD22 ' B' ' 87' ' ' ASN . 0.1 OUTLIER -52.07 130.5 30.14 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.478 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.47 -32.79 7.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.314 -0.866 . . . . 0.0 109.922 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 44.4 p90 -91.42 -23.61 19.98 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.206 -0.933 . . . . 0.0 110.968 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' B' ' 89' ' ' PHE . 0.9 OUTLIER 35.98 75.63 0.06 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.728 -0.608 . . . . 0.0 110.257 -179.133 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.97 -32.27 70.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.911 . . . . 0.0 109.836 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -68.52 133.54 48.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.151 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.376 -179.746 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.892 0 N-CA-C 119.44 2.536 . . . . 0.0 119.44 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.918 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 81.4 p -79.99 172.56 13.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -1.118 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.756 ' HB3' HG13 ' B' ' 14' ' ' VAL . 98.5 mt-10 -60.12 -51.3 70.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.851 . . . . 0.0 110.54 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' N ' ' OE2' ' B' ' 40' ' ' GLU . 87.0 mt -71.95 -39.29 69.49 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.731 -1.231 . . . . 0.0 109.93 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.558 ' OE1' HD23 ' B' ' 41' ' ' LEU . 55.3 tp10 -60.02 -40.46 89.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.095 -1.003 . . . . 0.0 109.318 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.5 m -61.09 -40.0 92.05 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.06 89.54 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.359 -0.838 . . . . 0.0 110.797 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mmt -60.3 -41.33 93.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.834 -1.166 . . . . 0.0 110.563 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.46 -39.97 94.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.067 -1.021 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.7 m -65.83 -39.99 91.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 0.0 110.792 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.17 -40.05 88.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.935 -1.103 . . . . 0.0 110.575 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.051 -1.031 . . . . 0.0 110.079 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.84 -40.4 92.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.82 HG13 ' HB3' ' B' ' 3' ' ' GLU . 28.3 t -72.53 -39.43 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.473 -1.392 . . . . 0.0 111.117 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.5 m-30 -55.16 -37.0 66.43 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 20' ' ' GLY . 76.7 t60 -59.91 -30.53 69.1 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' CB ' ' OE1' ' B' ' 3' ' ' GLU . . . -58.66 -55.52 34.03 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.021 -1.05 . . . . 0.0 110.331 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' ND1' HD21 ' A' ' 36' ' ' LEU . 97.2 m-70 -74.68 -39.19 62.15 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.756 -1.215 . . . . 0.0 110.872 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.556 ' C ' ' H ' ' A' ' 21' ' ' LYS . 66.2 m -97.03 13.17 29.97 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.861 -1.149 . . . . 0.0 110.665 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -66.08 27.8 0.15 Allowed Glycine 0 N--CA 1.491 2.304 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.604 -179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' H ' ' C ' ' A' ' 19' ' ' SER . 13.8 tptm -70.86 -4.23 23.2 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.874 -1.368 . . . . 0.0 107.449 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 20' ' ' GLY . 64.7 tt0 66.54 -17.33 0.12 Allowed 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -79.43 -76.75 0.95 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 23.3 p-10 -99.77 99.86 10.73 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.46 -28.71 69.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.195 -0.941 . . . . 0.0 109.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -49.68 170.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.105 -0.997 . . . . 0.0 108.323 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.708 ' HB3' HG23 ' A' ' 69' ' ' VAL . 35.1 tptt -58.53 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 118.427 -1.309 . . . . 0.0 108.814 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.66 -177.44 0.12 Allowed 'General case' 0 N--CA 1.512 2.644 0 O-C-N 120.905 -1.122 . . . . 0.0 111.214 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -50.99 149.68 3.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.988 -1.07 . . . . 0.0 109.852 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 64' ' ' ASN . 32.4 mtmm -62.62 -48.78 77.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.092 -1.005 . . . . 0.0 112.315 -178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -52.93 -47.13 68.26 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 119.706 -1.871 . . . . 0.0 111.24 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.26 -39.84 86.17 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 121.066 -1.021 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.711 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -53.63 -44.5 69.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.415 -0.803 . . . . 0.0 110.401 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 33' ' ' LEU . 2.4 ttmm -60.01 -45.45 92.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 119.832 -1.792 . . . . 0.0 109.438 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -62.12 -22.13 65.57 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.959 -1.088 . . . . 0.0 109.076 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD21 ' ND1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -73.62 -54.93 7.0 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.684 0.755 . . . . 0.0 111.078 -178.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.79 HD13 HG22 ' A' ' 78' ' ' VAL . 7.2 mt -68.13 -48.7 64.69 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.036 -1.04 . . . . 0.0 112.936 -176.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' NE2' ' HZ2' ' A' ' 34' ' ' LYS . 52.7 mt-30 -62.74 -23.17 67.05 Favored 'General case' 0 C--N 1.287 -2.146 0 CA-C-O 122.513 1.149 . . . . 0.0 108.238 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.65 -41.92 52.83 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.447 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.952 ' CG ' ' OG ' ' B' ' 2' ' ' SER . 49.1 tt0 -94.01 -1.71 54.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.636 -0.665 . . . . 0.0 109.691 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD23 ' OE1' ' B' ' 5' ' ' GLU . 68.3 mt -119.55 36.02 4.64 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.7 m -59.96 -40.13 87.98 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 111.274 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 38.5 t -62.31 -35.07 77.9 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.037 -1.039 . . . . 0.0 108.949 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.3 m-85 -60.21 -40.01 88.62 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 118.819 -1.152 . . . . 0.0 108.377 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.73 -8.8 11.43 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 43' ' ' SER . 89.6 m-20 -50.41 -30.53 12.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.094 -1.004 . . . . 0.0 109.182 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.6 p -159.67 98.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.179 -0.951 . . . . 0.0 110.284 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -70.4 112.95 7.07 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.993 -1.067 . . . . 0.0 109.865 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.649 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.8 -70.02 0.56 Allowed 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.509 -0.744 . . . . 0.0 109.698 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -100.01 101.58 12.71 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 122.46 1.124 . . . . 0.0 110.425 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.77 -17.36 61.59 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.393 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.08 -39.85 75.35 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.563 -0.711 . . . . 0.0 109.713 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -51.44 55.92 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.148 -0.97 . . . . 0.0 109.116 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.481 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -59.87 -37.06 70.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 178.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -59.94 -39.96 87.31 Favored 'General case' 0 C--N 1.293 -1.882 0 O-C-N 121.698 -0.626 . . . . 0.0 110.538 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.19 -39.76 86.42 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.956 -1.09 . . . . 0.0 109.517 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 80' ' ' ALA . 82.9 mt -59.93 -41.62 86.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.574 -0.704 . . . . 0.0 109.317 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.445 ' HE1' ' HZ2' ' A' ' 34' ' ' LYS . 9.1 mmt -60.96 -31.96 71.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.034 -1.041 . . . . 0.0 109.107 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -60.2 -40.04 88.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.098 -1.001 . . . . 0.0 111.249 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -67.09 -39.56 86.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.495 -1.378 . . . . 0.0 109.631 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -59.9 -39.34 85.05 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.88 -0.512 . . . . 0.0 111.007 -178.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -86.83 -34.65 19.44 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.062 -1.024 . . . . 0.0 111.585 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -30.16 64.6 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.185 -0.947 . . . . 0.0 110.035 -178.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.511 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 45.1 t-20 -148.93 45.48 1.0 Allowed 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.323 -0.861 . . . . 0.0 108.978 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.46 -30.7 12.91 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -79.67 -9.09 59.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.489 -1.006 . . . . 0.0 110.399 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . -64.29 -149.85 0.05 OUTLIER Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -158.31 159.98 36.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.377 -1.072 . . . . 0.0 110.718 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 27' ' ' LYS . 3.3 m -130.6 151.16 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.555 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 6.5 m-20 -122.63 -158.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.426 -0.796 . . . . 0.0 109.555 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 40.9 p90 -60.13 -52.08 66.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.461 -0.774 . . . . 0.0 112.155 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 3.3 tm0? -70.07 -30.02 67.17 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.915 -1.115 . . . . 0.0 109.318 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.555 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 26.4 mt-10 -76.01 -36.81 59.0 Favored 'General case' 0 C--N 1.286 -2.189 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.739 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.737 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.446 -0.784 . . . . 0.0 109.055 179.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.31 -41.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.198 -0.939 . . . . 0.0 110.722 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.43 -41.35 78.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 HD21 ' CG2' ' A' ' 57' ' ' ILE . 7.6 tt -71.31 -39.42 71.45 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.679 -0.638 . . . . 0.0 110.188 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.79 HG22 HD13 ' A' ' 37' ' ' LEU . 94.2 t -68.95 -40.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.002 -1.061 . . . . 0.0 108.495 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -60.79 -39.86 90.47 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 57' ' ' ILE . . . -59.99 -39.97 87.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 81' ' ' LEU . 2.3 tt -64.39 -36.31 83.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.249 . . . . 0.0 108.517 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' ASN . 3.3 m -58.04 -35.09 70.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 108.965 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.97 -41.18 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.394 -0.817 . . . . 0.0 108.903 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.649 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.97 -20.97 63.28 Favored 'General case' 0 C--N 1.297 -1.705 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.615 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.681 ' C ' ' H ' ' A' ' 87' ' ' ASN . 54.3 m -134.01 45.72 2.6 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.543 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 12.3 p30 -63.85 31.45 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.129 -0.982 . . . . 0.0 109.149 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.681 ' H ' ' C ' ' A' ' 85' ' ' CYS . 43.8 p-10 -59.73 145.06 46.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.445 -0.785 . . . . 0.0 110.324 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 86' ' ' ASN . 82.6 m-85 -135.93 -33.69 0.84 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.479 -0.763 . . . . 0.0 109.116 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -92.71 -27.6 17.15 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.389 -0.819 . . . . 0.0 110.442 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -81.95 52.94 2.07 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.794 -1.191 . . . . 0.0 109.744 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -69.7 141.89 53.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.225 -0.922 . . . . 0.0 108.849 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -80.24 -8.05 59.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.2 -0.938 . . . . 0.0 109.712 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.921 -1.037 . . . . 0.0 109.697 -179.698 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.937 0 N-CA-C 119.158 2.423 . . . . 0.0 119.158 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.952 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 80.8 p -79.98 172.41 13.81 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.192 -1.181 . . . . 0.0 109.94 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.82 ' HB3' HG13 ' A' ' 14' ' ' VAL . 99.0 mt-10 -60.0 -51.32 70.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.361 -0.837 . . . . 0.0 110.602 -178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.81 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 89.8 mt -72.1 -39.09 69.18 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.694 -1.254 . . . . 0.0 109.903 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.563 ' OE1' HD23 ' A' ' 41' ' ' LEU . 55.3 tp10 -59.95 -40.9 90.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.87 -40.05 91.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.108 -0.995 . . . . 0.0 109.588 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.12 88.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.44 -0.788 . . . . 0.0 110.804 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.53 -41.29 94.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.878 -1.139 . . . . 0.0 110.468 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.42 -40.09 95.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 110.452 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -65.61 -40.18 92.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.312 -0.868 . . . . 0.0 110.51 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.01 -40.14 88.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.005 -1.059 . . . . 0.0 110.659 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.86 -42.49 96.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 120.894 -1.129 . . . . 0.0 110.122 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -60.83 -41.02 94.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 111.319 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.756 HG13 ' HB3' ' A' ' 3' ' ' GLU . 33.8 t -72.33 -39.36 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.639 -1.288 . . . . 0.0 111.271 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.09 -37.18 66.5 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 74.8 t60 -59.59 -30.8 68.92 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' OE1' ' A' ' 3' ' ' GLU . . . -58.5 -55.5 34.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.123 -0.986 . . . . 0.0 110.444 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.537 ' ND1' HD21 ' B' ' 36' ' ' LEU . 96.9 m-70 -75.04 -38.9 61.29 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.735 -1.228 . . . . 0.0 110.812 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.547 ' C ' ' H ' ' B' ' 21' ' ' LYS . 69.6 m -96.82 12.56 31.68 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.935 -1.103 . . . . 0.0 110.668 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -65.97 27.47 0.15 Allowed Glycine 0 N--CA 1.49 2.272 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.889 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' B' ' 19' ' ' SER . 14.2 tptm -70.82 -4.05 22.12 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.872 -1.369 . . . . 0.0 107.466 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' B' ' 20' ' ' GLY . 66.1 tt0 66.39 -17.37 0.12 Allowed 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.015 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -79.45 -76.74 0.95 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 23.3 p-10 -99.77 99.73 10.59 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.402 -1.058 . . . . 0.0 108.347 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -64.37 -28.71 69.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.0 109.354 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.538 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.6 OUTLIER -49.67 170.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' B' ' 69' ' ' VAL . 34.7 tptt -58.4 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.408 -1.317 . . . . 0.0 108.795 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 175.03 -177.46 0.1 Allowed 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.883 -1.136 . . . . 0.0 111.228 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.9 p -51.19 149.53 3.81 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.973 -1.08 . . . . 0.0 109.948 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' B' ' 64' ' ' ASN . 31.7 mtmm -62.23 -49.11 77.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.091 -1.006 . . . . 0.0 112.306 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -52.68 -46.91 67.44 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 119.736 -1.853 . . . . 0.0 111.268 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.98 -39.04 83.38 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.06 -1.025 . . . . 0.0 109.341 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.711 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.4 tm? -54.23 -44.27 71.56 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.443 -0.786 . . . . 0.0 110.339 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.463 ' N ' HD13 ' B' ' 33' ' ' LEU . 2.3 ttmm -60.03 -45.66 92.07 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.0 -1.688 . . . . 0.0 109.414 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.15 -22.13 65.62 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.951 -1.093 . . . . 0.0 108.957 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.537 HD21 ' ND1' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -73.43 -54.71 7.63 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.654 0.74 . . . . 0.0 111.218 -178.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.78 HD13 HG22 ' B' ' 78' ' ' VAL . 7.5 mt -68.43 -48.74 63.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.052 -1.03 . . . . 0.0 112.785 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.427 ' NE2' ' HZ2' ' B' ' 34' ' ' LYS . 50.6 mt-30 -62.7 -23.11 66.98 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.526 1.155 . . . . 0.0 108.23 -177.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -75.76 -41.49 52.97 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.509 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.918 ' CG ' ' OG ' ' A' ' 2' ' ' SER . 46.2 tt0 -93.88 -2.52 53.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.547 -0.721 . . . . 0.0 109.606 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.558 HD23 ' OE1' ' A' ' 5' ' ' GLU . 69.6 mt -119.22 36.43 4.47 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.2 m -60.08 -39.98 87.99 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.446 -0.784 . . . . 0.0 111.223 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 47.0 t -62.99 -34.45 77.58 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.997 -1.065 . . . . 0.0 108.951 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.441 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.1 m-85 -60.69 -39.98 90.49 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.17 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.27 -9.31 11.05 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' B' ' 43' ' ' SER . 89.5 m-20 -50.09 -30.37 10.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.001 -1.062 . . . . 0.0 109.33 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.615 ' O ' HG13 ' B' ' 47' ' ' VAL . 7.3 p -159.96 98.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.09 -1.006 . . . . 0.0 110.356 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -70.38 113.01 7.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.064 -1.023 . . . . 0.0 109.799 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.646 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.2 mmmp? -81.01 -69.97 0.57 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.52 -0.738 . . . . 0.0 109.623 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -100.03 101.66 12.79 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.55 1.167 . . . . 0.0 110.4 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -17.56 61.55 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.507 -0.745 . . . . 0.0 109.312 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.93 -40.04 75.75 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.568 -0.708 . . . . 0.0 109.676 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -51.3 57.62 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.188 -0.945 . . . . 0.0 109.202 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.513 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.0 OUTLIER -60.03 -36.97 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.694 -0.629 . . . . 0.0 110.432 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.44 -39.42 85.39 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.975 -1.078 . . . . 0.0 109.416 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.497 HD11 ' CB ' ' B' ' 80' ' ' ALA . 83.0 mt -59.95 -41.78 87.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 121.601 -0.687 . . . . 0.0 109.481 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.441 ' HE1' ' HZ2' ' B' ' 34' ' ' LYS . 9.2 mmt -61.01 -32.05 71.65 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.059 -1.026 . . . . 0.0 109.135 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -60.01 -39.93 87.52 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.199 -0.938 . . . . 0.0 111.282 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.12 -39.64 86.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.57 -1.331 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' B' ' 30' ' ' LYS . 0.8 OUTLIER -59.96 -39.27 85.04 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.82 -0.55 . . . . 0.0 111.071 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.98 -34.54 19.24 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.015 -1.053 . . . . 0.0 111.531 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -30.3 64.91 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.19 -0.944 . . . . 0.0 110.035 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.481 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 45.5 t-20 -148.76 45.5 1.02 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.28 -0.887 . . . . 0.0 108.915 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -30.4 13.19 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -79.84 -9.01 59.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.496 -1.002 . . . . 0.0 110.414 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . -64.41 -149.53 0.05 OUTLIER Glycine 0 N--CA 1.481 1.696 0 N-CA-C 109.139 -1.585 . . . . 0.0 109.139 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -158.41 160.02 36.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.401 -1.058 . . . . 0.0 110.711 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.683 HG23 ' HB3' ' B' ' 27' ' ' LYS . 2.9 m -130.44 151.36 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.557 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 7.9 m-20 -122.82 -158.41 0.79 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.522 -0.736 . . . . 0.0 109.643 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 40.4 p90 -60.46 -51.99 67.11 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.415 -0.803 . . . . 0.0 112.11 -178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 3.1 tm0? -69.97 -30.03 67.29 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.026 -1.046 . . . . 0.0 109.36 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.557 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 24.7 mt-10 -76.62 -36.55 57.38 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 119.254 -0.978 . . . . 0.0 108.399 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.74 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.7 OUTLIER -69.97 -34.56 73.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.41 HG11 ' HB2' ' A' ' 79' ' ' ALA . 41.6 t -74.2 -41.39 51.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 O-C-N 121.166 -0.959 . . . . 0.0 110.62 -178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 68.8 t -70.39 -41.64 78.41 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.161 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.443 HD21 ' CG2' ' B' ' 57' ' ' ILE . 7.5 tt -71.04 -39.45 72.27 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.734 -0.604 . . . . 0.0 110.305 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.78 HG22 HD13 ' B' ' 37' ' ' LEU . 92.9 t -69.03 -39.9 80.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.584 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.9 -39.82 90.76 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.497 ' CB ' HD11 ' B' ' 57' ' ' ILE . . . -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.55 ' O ' HD23 ' B' ' 81' ' ' LEU . 2.4 tt -64.63 -36.88 85.68 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.705 -1.247 . . . . 0.0 108.49 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.45 ' O ' ' N ' ' B' ' 86' ' ' ASN . 3.1 m -57.5 -35.05 69.72 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.044 -1.035 . . . . 0.0 109.114 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.1 -41.25 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.339 -0.851 . . . . 0.0 108.712 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.646 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.96 -21.06 63.29 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.806 -0.758 . . . . 0.0 109.606 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.67 ' C ' ' H ' ' B' ' 87' ' ' ASN . 52.3 m -133.8 45.68 2.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.543 ' O ' ' CE2' ' B' ' 88' ' ' PHE . 12.1 p30 -63.74 31.49 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.11 -0.994 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.67 ' H ' ' C ' ' B' ' 85' ' ' CYS . 44.0 p-10 -59.66 144.97 46.44 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.447 -0.783 . . . . 0.0 110.462 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' B' ' 86' ' ' ASN . 84.0 m-85 -135.81 -34.13 0.83 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -92.52 -26.99 17.68 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.256 -0.902 . . . . 0.0 110.566 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 28.0 m-90 -82.35 52.24 2.0 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.824 -1.172 . . . . 0.0 109.709 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.85 141.98 54.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 108.879 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -80.23 -8.04 59.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.968 . . . . 0.0 109.675 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.705 -179.631 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.623 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 52.3 p -80.7 169.22 17.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.698 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -61.11 -50.23 74.08 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.201 -0.937 . . . . 0.0 111.265 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' B' ' 14' ' ' VAL . 64.6 mt -77.03 -40.82 45.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.534 -1.354 . . . . 0.0 110.526 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.507 ' HB2' ' HG2' ' B' ' 40' ' ' GLU . 88.7 tt0 -62.25 -41.68 98.65 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.948 -1.095 . . . . 0.0 110.039 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -40.02 88.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.234 -0.916 . . . . 0.0 110.406 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.557 ' CB ' HD21 ' B' ' 11' ' ' LEU . . . -68.38 -40.31 81.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.347 -0.845 . . . . 0.0 111.263 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 tpt -61.01 -41.35 96.38 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.939 -1.1 . . . . 0.0 110.522 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.24 -40.02 96.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.091 -1.006 . . . . 0.0 109.955 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.5 m -63.43 -40.08 96.19 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.369 -0.832 . . . . 0.0 110.281 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD21 ' CB ' ' B' ' 7' ' ' ALA . 94.3 mt -59.98 -40.16 88.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.06 -1.025 . . . . 0.0 110.742 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.19 -43.94 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.906 -1.121 . . . . 0.0 109.776 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.04 -40.31 88.94 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.313 -0.867 . . . . 0.0 110.898 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' B' ' 4' ' ' LEU . 61.0 t -66.5 -39.4 83.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 120.707 -1.246 . . . . 0.0 110.418 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 5.4 m-30 -50.84 -38.37 48.58 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.732 -1.23 . . . . 0.0 107.699 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 74.2 t60 -60.01 -35.68 75.59 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.73 -58.58 7.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.955 -1.091 . . . . 0.0 110.549 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.56 -40.05 64.23 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.545 -1.347 . . . . 0.0 110.756 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 51.0 m -84.56 -6.56 59.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.017 -1.052 . . . . 0.0 111.205 -178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -58.33 -39.97 93.41 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -76.24 -12.68 60.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.001 -1.293 . . . . 0.0 109.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -78.08 141.22 38.94 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.36 -32.38 72.37 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -98.67 128.75 45.05 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.266 -1.137 . . . . 0.0 109.44 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' TYR . 4.4 mptp? -62.33 -32.11 72.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.207 -0.933 . . . . 0.0 109.491 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.0 m-85 -48.74 170.3 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.689 ' HB3' HG23 ' A' ' 69' ' ' VAL . 47.5 tptt -50.55 -94.09 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 118.229 -1.389 . . . . 0.0 109.493 -178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' O ' HG22 ' A' ' 69' ' ' VAL . 1.4 pp 179.39 -178.8 0.38 Allowed 'General case' 0 N--CA 1.514 2.756 0 O-C-N 120.64 -1.287 . . . . 0.0 111.956 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -43.91 155.1 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.32 -0.862 . . . . 0.0 111.847 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.763 ' O ' HD23 ' A' ' 61' ' ' LEU . 2.3 mmmm -66.72 -54.1 26.55 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -60.26 -43.96 95.71 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 119.59 -1.944 . . . . 0.0 111.975 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -69.8 -31.57 69.56 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.738 -1.227 . . . . 0.0 108.757 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.726 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.9 tm? -59.97 -44.1 94.67 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.948 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.979 ' NZ ' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -65.28 -55.54 17.78 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.75 -1.219 . . . . 0.0 111.734 -178.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.83 -27.63 52.39 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 120.34 -1.475 . . . . 0.0 110.186 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -52.82 10.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -0.795 . . . . 0.0 111.831 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.728 HD23 HG22 ' A' ' 78' ' ' VAL . 6.0 mp -69.21 -45.36 70.06 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.615 -1.303 . . . . 0.0 112.693 -176.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.83 -26.69 67.51 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.542 -1.348 . . . . 0.0 107.618 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.01 -39.97 54.61 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.075 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.625 ' CG ' ' OG ' ' B' ' 2' ' ' SER . 81.0 tt0 -79.3 -5.83 55.35 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.6 mt -114.7 49.77 1.01 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -54.14 -37.84 64.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.477 -0.764 . . . . 0.0 110.091 -178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 36.0 t -56.88 -17.93 11.25 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CD2' ' SG ' ' A' ' 85' ' ' CYS . 30.7 t80 -60.05 -40.05 88.11 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.95 -14.13 62.72 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.563 ' O ' HG13 ' A' ' 47' ' ' VAL . 9.3 t70 -59.97 -45.89 91.2 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.408 -0.807 . . . . 0.0 109.891 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.69 ' CG2' HD22 ' A' ' 87' ' ' ASN . 2.1 m -158.38 97.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.963 -1.086 . . . . 0.0 110.93 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 8.4 mp0 -70.07 119.86 14.91 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.686 ' N ' ' O ' ' A' ' 84' ' ' ALA . 1.3 mmmm -91.44 -79.92 0.36 Allowed 'General case' 0 C--N 1.289 -2.028 0 O-C-N 121.9 -0.5 . . . . 0.0 110.524 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.56 98.95 9.2 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.907 -1.12 . . . . 0.0 109.887 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.8 -18.87 61.43 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.461 -0.774 . . . . 0.0 110.021 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -39.97 75.35 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.607 -0.683 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -50.77 65.43 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.348 -0.845 . . . . 0.0 109.266 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -59.56 -38.23 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.057 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -58.87 -39.99 83.02 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.139 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -66.4 -39.98 89.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.884 -1.135 . . . . 0.0 109.98 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.727 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.3 mp -60.03 -43.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 O-C-N 120.934 -1.104 . . . . 0.0 108.574 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.535 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mpt? -58.89 -24.7 62.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.42 -0.8 . . . . 0.0 109.624 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 10.0 mtpm? -66.69 -39.97 88.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.706 -1.246 . . . . 0.0 110.347 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' OD1' ' A' ' 64' ' ' ASN . 96.4 mt-10 -67.3 -39.9 85.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.523 -1.36 . . . . 0.0 111.992 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.979 HD13 ' NZ ' ' A' ' 34' ' ' LYS . 3.0 mp -75.0 -33.12 61.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.469 -1.395 . . . . 0.0 109.934 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.0 -38.01 75.87 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.601 -1.312 . . . . 0.0 108.405 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 11.5 mm-40 -61.23 -39.99 92.35 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.655 0.741 . . . . 0.0 109.434 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 51.6 p30 -148.25 61.56 1.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -50.0 -29.99 15.41 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.046 -1.621 . . . . 0.0 109.046 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -79.94 2.11 24.73 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.738 -0.86 . . . . 0.0 109.688 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.94 -149.41 0.27 Allowed Glycine 0 N--CA 1.483 1.833 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -160.21 160.41 32.73 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.165 -1.197 . . . . 0.0 110.926 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.701 HG21 ' HG ' ' A' ' 33' ' ' LEU . 7.0 m -129.26 155.25 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 10.9 m-20 -128.12 -160.0 0.99 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.221 -0.925 . . . . 0.0 109.605 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.856 ' CZ ' ' ND2' ' B' ' 86' ' ' ASN . 43.0 p90 -60.04 -51.48 69.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.603 -0.686 . . . . 0.0 111.514 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.72 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.34 -27.76 64.61 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.733 -1.23 . . . . 0.0 109.574 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 39.7 tt0 -81.92 -34.69 29.78 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 108.352 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.746 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.5 t80 -69.93 -38.87 76.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.144 -0.973 . . . . 0.0 108.975 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.25 -43.41 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.229 -0.92 . . . . 0.0 110.848 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 HG13 ' B' ' 76' ' ' VAL . 57.2 t -68.62 -40.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.421 -0.799 . . . . 0.0 109.988 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 3.4 tp -69.58 -40.04 76.98 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.38 -0.825 . . . . 0.0 109.167 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 74' ' ' PHE . 75.9 t -61.71 -42.25 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.558 -0.714 . . . . 0.0 109.73 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' B' ' 72' ' ' GLN . . . -64.23 -34.77 78.87 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.727 ' HB1' HD11 ' A' ' 57' ' ' ILE . . . -60.02 -40.36 89.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.492 0.663 . . . . 0.0 109.475 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.22 -39.96 86.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.524 -1.36 . . . . 0.0 107.871 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.593 ' O ' ' N ' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -54.87 -31.17 59.46 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.0 -41.52 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.686 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.55 -20.97 61.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.152 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.656 ' C ' ' H ' ' A' ' 87' ' ' ASN . 1.5 m -130.04 30.96 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.878 ' ND2' ' CZ ' ' B' ' 71' ' ' PHE . 22.5 t-20 -65.09 26.71 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.098 -1.001 . . . . 0.0 109.88 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.69 HD22 ' CG2' ' A' ' 47' ' ' VAL . 34.4 p-10 -50.4 139.86 14.63 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.559 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -107.7 -33.24 7.34 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.412 -0.805 . . . . 0.0 109.299 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 90' ' ' TRP . 97.3 m-85 -93.31 -22.23 19.1 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.2 -0.938 . . . . 0.0 109.816 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER 34.04 49.05 0.27 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 121.295 0.569 . . . . 0.0 111.452 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -90.86 104.95 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.791 -1.193 . . . . 0.0 108.696 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 20.3 p-10 -82.27 150.35 27.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.288 -0.883 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.461 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.662 2.625 . . . . 0.0 119.662 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.625 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 58.9 p -80.7 169.44 17.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.237 -1.155 . . . . 0.0 109.744 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 -60.85 -50.67 72.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.265 -0.897 . . . . 0.0 111.295 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.524 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 63.7 mt -76.66 -41.0 47.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.603 -1.311 . . . . 0.0 110.647 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.495 ' HB2' ' HG2' ' A' ' 40' ' ' GLU . 88.6 tt0 -62.02 -41.7 98.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.972 -1.08 . . . . 0.0 110.075 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -60.16 -39.97 88.25 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.266 -0.897 . . . . 0.0 110.41 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.573 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -68.54 -39.99 80.89 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 0.0 111.3 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.1 tpt -61.21 -41.62 97.15 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.954 -1.092 . . . . 0.0 110.427 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.96 -39.92 96.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.211 -0.93 . . . . 0.0 110.082 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 92.5 m -63.56 -39.98 95.81 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.313 -0.867 . . . . 0.0 110.355 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 11' ' ' LEU . 93.8 mt -59.93 -40.1 87.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.94 -1.1 . . . . 0.0 110.749 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.31 -43.84 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.732 -1.23 . . . . 0.0 109.819 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -60.01 -40.47 89.36 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.346 -0.846 . . . . 0.0 110.891 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 4' ' ' LEU . 56.7 t -66.61 -39.42 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.697 -1.252 . . . . 0.0 110.33 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 5.4 m-30 -50.71 -38.24 46.13 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 107.735 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' B' ' 20' ' ' GLY . 73.3 t60 -60.09 -35.53 75.41 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -58.79 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.954 -1.091 . . . . 0.0 110.4 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -73.66 -39.87 64.13 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.521 -1.362 . . . . 0.0 110.711 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 49.5 m -84.38 -6.84 59.43 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.071 -1.018 . . . . 0.0 111.229 -178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -58.34 -39.76 93.16 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -76.52 -12.42 60.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.037 -1.272 . . . . 0.0 109.59 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -78.34 141.51 38.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.78 -32.08 73.49 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.64 129.03 45.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.309 -1.112 . . . . 0.0 109.327 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' B' ' 26' ' ' TYR . 4.4 mptp? -62.53 -32.17 73.07 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.0 109.518 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.502 ' O ' ' O ' ' B' ' 27' ' ' LYS . 59.7 m-85 -48.72 170.38 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.703 ' HB3' HG23 ' B' ' 69' ' ' VAL . 45.4 tptt -50.86 -94.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.431 -1.418 . . . . 0.0 109.329 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.678 ' O ' HG22 ' B' ' 69' ' ' VAL . 1.3 pp 179.48 -178.76 0.38 Allowed 'General case' 0 N--CA 1.513 2.711 0 O-C-N 120.686 -1.259 . . . . 0.0 112.06 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 7.3 t -44.0 155.2 0.09 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.29 -0.881 . . . . 0.0 111.912 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.745 ' O ' HD23 ' B' ' 61' ' ' LEU . 2.1 mmmm -66.85 -54.15 25.27 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -60.05 -44.15 94.89 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 119.536 -1.978 . . . . 0.0 111.942 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -69.65 -31.53 69.66 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.75 -1.219 . . . . 0.0 108.782 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.726 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.9 tm? -59.94 -44.12 94.57 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.076 -1.015 . . . . 0.0 108.992 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 1.103 ' HZ1' HD13 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -65.46 -55.32 18.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.784 -1.197 . . . . 0.0 111.836 -178.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -55.66 -27.93 52.63 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 120.43 -1.419 . . . . 0.0 110.204 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -74.4 -52.94 10.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.51 -0.743 . . . . 0.0 111.917 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.714 HD23 HG22 ' B' ' 78' ' ' VAL . 6.1 mp -69.16 -45.28 70.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.624 -1.298 . . . . 0.0 112.728 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.0 -26.47 67.62 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 120.505 -1.372 . . . . 0.0 107.61 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -76.2 -40.02 53.29 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.623 ' CG ' ' OG ' ' A' ' 2' ' ' SER . 80.9 tt0 -79.22 -5.92 55.43 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 38.3 mt -114.34 49.46 1.01 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.0 m -53.96 -38.26 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.455 -0.778 . . . . 0.0 110.025 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 36.6 t -56.57 -17.92 10.14 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.617 ' CD2' ' SG ' ' B' ' 85' ' ' CYS . 30.0 t80 -59.95 -40.07 87.73 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -68.32 -13.84 62.56 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.507 ' O ' HG13 ' B' ' 47' ' ' VAL . 9.3 t70 -60.02 -46.28 90.0 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.424 -0.797 . . . . 0.0 109.9 -179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.693 ' CG2' HD22 ' B' ' 87' ' ' ASN . 1.8 m -157.49 97.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.022 -1.049 . . . . 0.0 110.895 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.464 ' CD ' ' H ' ' B' ' 48' ' ' GLN . 8.5 mp0 -70.09 119.78 14.8 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.233 -0.917 . . . . 0.0 108.937 178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.684 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.8 OUTLIER -91.62 -80.01 0.36 Allowed 'General case' 0 C--N 1.288 -2.067 0 O-C-N 121.774 -0.579 . . . . 0.0 110.495 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -101.33 98.93 9.24 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.895 -1.128 . . . . 0.0 109.954 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -18.91 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.012 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.03 -39.94 75.47 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.613 -0.679 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -51.01 64.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -0.833 . . . . 0.0 109.282 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.547 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -59.41 -37.93 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.06 -40.04 83.93 Favored 'General case' 0 C--N 1.284 -2.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.098 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -66.52 -40.01 88.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.93 -1.107 . . . . 0.0 109.831 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.707 HD11 ' HB1' ' B' ' 80' ' ' ALA . 1.4 mp -59.95 -43.27 91.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 O-C-N 121.009 -1.057 . . . . 0.0 108.482 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.547 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 1.2 mpt? -58.72 -24.57 61.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.428 -0.795 . . . . 0.0 109.648 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' B' ' 63' ' ' GLU . 9.9 mtpm? -67.05 -39.6 86.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.702 -1.248 . . . . 0.0 110.374 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.437 ' O ' ' OD1' ' B' ' 64' ' ' ASN . 96.2 mt-10 -67.64 -39.94 84.59 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.564 -1.335 . . . . 0.0 111.81 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 1.103 HD13 ' HZ1' ' B' ' 34' ' ' LYS . 3.0 mp -74.79 -33.26 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.416 . . . . 0.0 109.828 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -37.89 75.78 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.474 -1.391 . . . . 0.0 108.421 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' B' ' 59' ' ' LYS . 11.7 mm-40 -61.44 -39.99 92.83 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.588 0.708 . . . . 0.0 109.357 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' B' ' 60' ' ' GLU . 50.9 p30 -148.12 61.62 1.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.88 -29.89 14.44 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -80.03 1.9 25.84 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.585 -0.95 . . . . 0.0 109.837 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -149.48 0.26 Allowed Glycine 0 N--CA 1.484 1.876 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -160.07 160.41 33.1 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.229 -1.159 . . . . 0.0 110.937 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' B' ' 27' ' ' LYS . 7.3 m -129.11 155.39 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.51 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.7 m-20 -128.51 -159.99 0.99 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.198 -0.939 . . . . 0.0 109.501 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.878 ' CZ ' ' ND2' ' A' ' 86' ' ' ASN . 42.8 p90 -59.95 -51.42 69.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.467 -0.771 . . . . 0.0 111.487 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.713 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.64 -27.51 64.11 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.738 -1.226 . . . . 0.0 109.548 -178.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.51 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 37.5 tt0 -82.09 -34.56 29.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.129 -1.029 . . . . 0.0 108.358 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.754 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.4 t80 -69.99 -38.83 76.12 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.167 -0.958 . . . . 0.0 108.949 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 79' ' ' ALA . 55.9 t -74.81 -44.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.3 -0.875 . . . . 0.0 111.021 -178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.64 HG13 HG13 ' A' ' 76' ' ' VAL . 53.7 t -68.5 -39.92 81.34 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.523 -0.735 . . . . 0.0 110.138 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 3.5 tp -69.66 -40.0 76.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.385 -0.822 . . . . 0.0 109.098 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.754 HG23 ' O ' ' B' ' 74' ' ' PHE . 75.1 t -61.4 -42.48 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 109.643 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 72' ' ' GLN . . . -64.32 -34.33 77.9 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' B' ' 57' ' ' ILE . . . -59.96 -40.69 89.93 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.514 0.674 . . . . 0.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.18 -40.01 86.5 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.463 -1.398 . . . . 0.0 107.93 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.587 ' O ' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -54.56 -31.1 56.0 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.08 -41.58 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.684 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.39 -20.81 61.38 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.237 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.674 ' C ' ' H ' ' B' ' 87' ' ' ASN . 1.4 m -130.28 30.65 4.73 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.856 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 23.3 t-20 -64.92 26.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.11 -0.993 . . . . 0.0 110.008 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.693 HD22 ' CG2' ' B' ' 47' ' ' VAL . 33.8 p-10 -50.45 139.99 14.59 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 121.706 -0.621 . . . . 0.0 109.514 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -107.8 -33.16 7.33 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.532 -0.73 . . . . 0.0 109.232 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.568 ' O ' ' CD1' ' B' ' 90' ' ' TRP . 95.8 m-85 -93.44 -22.29 18.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.131 -0.98 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.568 ' CD1' ' O ' ' B' ' 89' ' ' PHE . 0.7 OUTLIER 34.19 48.57 0.26 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.264 0.554 . . . . 0.0 111.545 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.1 104.9 17.42 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.777 -1.202 . . . . 0.0 108.916 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 18.2 p-10 -81.62 150.64 28.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.306 -0.871 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.472 179.609 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.875 0 N-CA-C 119.681 2.632 . . . . 0.0 119.681 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -80.1 157.65 26.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.262 -1.14 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.5 mp0 -60.81 -40.37 92.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.345 -0.847 . . . . 0.0 110.005 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HG ' HG11 ' B' ' 14' ' ' VAL . 31.4 mt -70.06 -41.6 73.94 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.253 -0.904 . . . . 0.0 111.15 -178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.69 -41.1 98.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.813 -1.179 . . . . 0.0 109.873 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -62.88 -39.94 96.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 110.982 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.06 -46.93 87.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.966 -1.084 . . . . 0.0 110.293 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.98 -35.93 76.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.283 -0.886 . . . . 0.0 110.162 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.518 -1.364 . . . . 0.0 108.084 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -62.58 -39.98 95.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 7' ' ' ALA . 9.6 mp -59.79 -40.01 86.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.651 -0.656 . . . . 0.0 110.035 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.37 -40.23 87.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.745 -1.222 . . . . 0.0 110.309 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -65.88 -40.13 91.31 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.032 -1.042 . . . . 0.0 111.624 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.607 HG11 ' HG ' ' B' ' 4' ' ' LEU . 21.5 t -69.92 -38.28 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.81 -1.181 . . . . 0.0 110.138 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.49 -39.99 68.07 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -65.39 -23.45 66.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.632 -0.668 . . . . 0.0 109.248 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -58.93 -55.21 38.05 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.952 -1.092 . . . . 0.0 109.879 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -74.18 -40.08 62.77 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.719 -1.238 . . . . 0.0 110.471 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 21' ' ' LYS . 61.6 m -82.83 -7.51 59.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.072 -1.018 . . . . 0.0 110.157 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -60.63 18.06 0.04 OUTLIER Glycine 0 N--CA 1.492 2.41 0 O-C-N 121.182 -0.949 . . . . 0.0 111.462 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 19' ' ' SER . 4.7 tmtm? -68.72 2.27 2.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.689 -1.477 . . . . 0.0 108.033 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 20' ' ' GLY . 86.4 mt-10 65.63 0.4 1.45 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.497 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -84.93 -88.56 0.88 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 107.428 -2.269 . . . . 0.0 107.428 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -101.59 109.57 21.4 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -60.08 -34.65 73.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.101 -1.0 . . . . 0.0 109.582 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' LYS . 62.3 m-85 -49.7 168.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.169 -0.957 . . . . 0.0 108.446 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HB3' HG23 ' A' ' 69' ' ' VAL . 17.0 tptp -51.6 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.739 -1.226 . . . . 0.0 109.64 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -179.33 -176.81 0.42 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.596 -1.315 . . . . 0.0 110.811 179.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.0 p -52.13 148.9 5.73 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.975 -1.078 . . . . 0.0 110.866 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HG2' HG13 ' A' ' 69' ' ' VAL . 17.8 mtpp -60.08 -39.98 87.95 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.629 -0.67 . . . . 0.0 111.338 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -63.56 -52.45 61.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.593 -1.317 . . . . 0.0 111.031 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -39.96 94.62 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.012 -1.055 . . . . 0.0 108.574 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -50.37 -45.05 55.03 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.382 -0.824 . . . . 0.0 109.463 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.57 ' N ' HD13 ' A' ' 33' ' ' LEU . 2.8 tmtt? -60.02 -49.02 79.3 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.328 -1.482 . . . . 0.0 110.718 -178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.12 -28.6 66.69 Favored 'General case' 0 C--N 1.288 -2.085 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.55 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.8 tp -70.53 -54.87 10.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.364 -0.835 . . . . 0.0 111.153 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD13 HG22 ' A' ' 78' ' ' VAL . 4.4 mt -59.98 -51.14 70.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.648 -1.283 . . . . 0.0 110.342 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -58.72 -20.76 51.81 Favored 'General case' 0 C--N 1.277 -2.556 0 O-C-N 120.88 -1.137 . . . . 0.0 109.777 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.46 -31.98 32.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.209 -0.932 . . . . 0.0 109.828 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -87.84 -39.08 15.13 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.335 -0.853 . . . . 0.0 108.774 179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.4 mm? -90.4 33.62 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.04 -40.08 88.15 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.246 -0.909 . . . . 0.0 110.695 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 32.4 t -64.2 -29.88 70.97 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.013 -1.054 . . . . 0.0 108.93 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 33.3 m-85 -60.01 -41.52 92.32 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 117.606 -1.638 . . . . 0.0 107.713 179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.9 mp -58.74 -2.33 0.22 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.978 -1.076 . . . . 0.0 108.779 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 44' ' ' PHE . 84.6 m-20 -59.95 -39.96 87.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.91 -1.119 . . . . 0.0 108.966 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.01 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.194 -0.941 . . . . 0.0 109.762 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -62.91 123.47 18.58 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 122.148 0.975 . . . . 0.0 109.573 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -104.67 -47.73 3.98 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.704 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -97.07 86.55 3.99 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.182 -0.949 . . . . 0.0 109.526 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.51 -18.97 58.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -70.51 -39.94 73.82 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.7 -0.625 . . . . 0.0 109.419 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -50.84 58.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.257 -0.902 . . . . 0.0 108.93 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' CG2' ' HB2' ' A' ' 84' ' ' ALA . 72.3 t -59.44 -39.38 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.407 -0.808 . . . . 0.0 108.934 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -60.01 -39.96 87.59 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.535 -0.728 . . . . 0.0 110.249 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.17 -39.99 93.67 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.854 0.835 . . . . 0.0 109.026 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.65 ' O ' HD12 ' A' ' 61' ' ' LEU . 83.1 mt -60.06 -50.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.803 -0.56 . . . . 0.0 110.373 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -23.91 57.74 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.553 -0.717 . . . . 0.0 110.198 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.03 -39.98 83.01 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.327 -0.858 . . . . 0.0 109.675 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.21 -48.46 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.075 -1.015 . . . . 0.0 111.339 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -73.45 -23.63 60.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.034 -1.041 . . . . 0.0 109.664 -179.163 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.42 -33.31 60.94 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.168 -0.958 . . . . 0.0 108.7 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.7 -40.0 90.6 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.742 0.782 . . . . 0.0 108.931 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 66' ' ' ASP . 37.6 p-10 -159.7 64.07 0.37 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -46.3 -16.18 0.16 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' ASN . 95.5 m-20 -86.62 0.02 55.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.458 -1.024 . . . . 0.0 109.668 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' ASN . . . -63.34 -145.23 0.02 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -155.72 154.26 31.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.291 -1.123 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.7 HG21 ' HG ' ' A' ' 33' ' ' LEU . 6.4 m -134.98 154.21 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.24 0.95 Allowed 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.215 -0.928 . . . . 0.0 109.939 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.2 p90 -60.03 -48.42 81.8 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.707 -0.621 . . . . 0.0 111.668 -178.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.706 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -71.72 -29.15 64.23 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 120.379 -1.451 . . . . 0.0 109.279 -178.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' HG2' HG12 ' A' ' 69' ' ' VAL . 29.2 tp10 -82.17 -36.34 27.46 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.8 t80 -69.98 -38.95 76.2 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.805 . . . . 0.0 109.269 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.41 -41.34 56.89 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 121.352 -0.842 . . . . 0.0 110.584 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.5 t -69.97 -40.2 78.36 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 121.563 -0.711 . . . . 0.0 111.129 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.84 -35.82 64.85 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.364 -0.835 . . . . 0.0 109.785 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 74' ' ' PHE . 77.0 t -70.05 -40.07 78.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.325 -0.859 . . . . 0.0 108.889 -179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.03 85.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 64.5 tp -62.38 -39.99 94.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.08 -1.012 . . . . 0.0 109.005 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.484 HG23 ' CE2' ' A' ' 44' ' ' PHE . 7.2 m -54.01 -37.52 64.13 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.106 -0.997 . . . . 0.0 108.469 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.72 -27.44 37.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -59.97 -39.93 87.34 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.941 -178.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.623 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -143.71 65.17 1.32 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 120.939 -1.101 . . . . 0.0 108.97 -177.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.63 41.35 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.267 -0.895 . . . . 0.0 109.02 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.644 HD22 ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -60.59 152.16 26.93 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.636 0.732 . . . . 0.0 111.36 -179.288 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -126.6 -56.33 1.39 Allowed 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.429 0.633 . . . . 0.0 109.307 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -91.24 -18.08 24.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.222 -0.924 . . . . 0.0 110.546 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 -88.14 46.32 1.37 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.815 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.86 150.07 47.2 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -65.87 153.31 42.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.034 -1.041 . . . . 0.0 109.511 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.35 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.644 2.618 . . . . 0.0 119.644 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -80.17 157.53 26.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -1.094 . . . . 0.0 109.557 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.9 mp0 -60.61 -40.53 92.2 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.379 -0.826 . . . . 0.0 110.073 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.607 ' HG ' HG11 ' A' ' 14' ' ' VAL . 32.3 mt -70.01 -41.58 74.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.201 -0.937 . . . . 0.0 111.082 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.63 -41.09 98.82 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.87 -1.144 . . . . 0.0 109.917 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -62.98 -40.01 96.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.805 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.414 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.03 -46.89 88.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.028 -1.045 . . . . 0.0 110.381 -179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.95 -36.07 76.31 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.34 -0.85 . . . . 0.0 110.227 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.697 -1.252 . . . . 0.0 108.003 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.56 -39.98 95.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.414 HD13 ' O ' ' B' ' 7' ' ' ALA . 9.7 mp -59.72 -40.07 86.79 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.531 -0.731 . . . . 0.0 110.04 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.18 -40.34 87.26 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.784 -1.198 . . . . 0.0 110.249 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -65.72 -40.25 92.03 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.945 -1.097 . . . . 0.0 111.553 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.628 HG11 ' HG ' ' A' ' 4' ' ' LEU . 21.2 t -69.98 -38.09 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.728 -1.232 . . . . 0.0 110.266 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -54.59 -40.0 68.38 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.575 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.8 t-80 -65.41 -23.42 66.95 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -58.91 -55.36 36.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.984 -1.073 . . . . 0.0 109.947 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -73.99 -40.22 63.11 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.814 -1.178 . . . . 0.0 110.478 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.558 ' C ' ' H ' ' B' ' 21' ' ' LYS . 64.0 m -82.75 -7.58 59.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.196 -0.94 . . . . 0.0 110.251 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -60.55 17.88 0.04 OUTLIER Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.279 -0.888 . . . . 0.0 111.484 -178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' B' ' 19' ' ' SER . 4.8 tmtm? -68.72 2.4 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.614 -1.521 . . . . 0.0 107.98 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' B' ' 20' ' ' GLY . 86.7 mt-10 65.65 0.21 1.41 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.527 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.81 -88.69 0.86 Allowed Glycine 0 N--CA 1.488 2.132 0 N-CA-C 107.463 -2.255 . . . . 0.0 107.463 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -101.33 109.36 21.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.538 -0.978 . . . . 0.0 108.448 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -60.0 -34.68 73.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 109.636 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' B' ' 27' ' ' LYS . 62.1 m-85 -49.56 168.54 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.662 ' HB3' HG23 ' B' ' 69' ' ' VAL . 17.1 tptp -51.73 -93.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.709 -1.244 . . . . 0.0 109.567 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.524 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -179.29 -176.84 0.42 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.536 -1.352 . . . . 0.0 110.867 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -51.97 149.07 5.3 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.872 -1.143 . . . . 0.0 110.802 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.443 ' HG2' HG13 ' B' ' 69' ' ' VAL . 17.6 mtpp -60.2 -40.01 88.55 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.577 -0.702 . . . . 0.0 111.384 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -63.46 -52.37 61.71 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.656 -1.278 . . . . 0.0 111.042 -177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -64.63 -40.0 94.69 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.993 -1.067 . . . . 0.0 108.498 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.741 HD13 ' C ' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -50.22 -45.1 53.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.561 ' N ' HD13 ' B' ' 33' ' ' LEU . 3.0 tmtt? -60.0 -49.31 78.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.313 -1.492 . . . . 0.0 110.687 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.89 -28.72 66.42 Favored 'General case' 0 C--N 1.286 -2.157 0 C-N-CA 118.306 -1.357 . . . . 0.0 109.648 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.53 -54.8 10.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 111.111 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.518 HD13 HG22 ' B' ' 78' ' ' VAL . 4.6 mt -60.0 -51.06 71.26 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.698 -1.251 . . . . 0.0 110.284 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -58.7 -20.83 52.1 Favored 'General case' 0 C--N 1.278 -2.502 0 O-C-N 120.895 -1.128 . . . . 0.0 109.841 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -81.38 -32.1 33.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.193 -0.942 . . . . 0.0 109.826 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.94 -38.59 15.44 Favored 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.329 -0.857 . . . . 0.0 108.806 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.426 HD22 ' O ' ' B' ' 37' ' ' LEU . 1.4 mm? -90.61 33.57 0.91 Allowed 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.03 -40.28 88.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.329 -0.857 . . . . 0.0 110.656 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.42 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 31.1 t -64.02 -29.99 71.1 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.006 -1.059 . . . . 0.0 109.085 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.532 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 33.3 m-85 -59.98 -41.3 91.71 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.488 -1.685 . . . . 0.0 107.671 179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.476 HD12 ' N ' ' B' ' 45' ' ' LEU . 10.9 mp -58.85 -2.24 0.22 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.008 -1.058 . . . . 0.0 108.866 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' B' ' 44' ' ' PHE . 84.9 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.001 -1.062 . . . . 0.0 108.926 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -148.71 75.43 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.141 -0.974 . . . . 0.0 109.728 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -63.19 123.46 18.69 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 122.128 0.966 . . . . 0.0 109.523 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -104.5 -47.92 3.96 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.685 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.0 86.47 3.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.21 -0.931 . . . . 0.0 109.576 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.41 -18.96 58.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.331 -0.856 . . . . 0.0 108.914 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.55 -40.05 73.61 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.699 -0.626 . . . . 0.0 109.314 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.17 -51.01 58.94 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.264 -0.897 . . . . 0.0 108.862 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' B' ' 84' ' ' ALA . 72.1 t -59.42 -39.33 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 119.743 -0.783 . . . . 0.0 108.896 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.99 -40.08 87.92 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.488 -0.757 . . . . 0.0 110.197 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -40.04 93.8 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.326 -0.858 . . . . 0.0 109.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.648 ' O ' HD12 ' B' ' 61' ' ' LEU . 82.6 mt -59.97 -50.0 81.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.725 -0.609 . . . . 0.0 110.513 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -23.77 58.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.08 -40.01 82.76 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.32 -0.863 . . . . 0.0 109.625 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.26 -48.34 76.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.156 -0.965 . . . . 0.0 111.302 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.648 HD12 ' O ' ' B' ' 57' ' ' ILE . 1.0 OUTLIER -73.56 -23.83 60.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.026 -1.047 . . . . 0.0 109.616 -179.157 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -75.18 -33.55 61.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 0.0 108.785 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.769 0.795 . . . . 0.0 108.959 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' B' ' 66' ' ' ASP . 37.5 p-10 -159.72 64.17 0.37 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -46.24 -16.23 0.16 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.0 m-20 -86.84 0.09 55.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.465 -1.021 . . . . 0.0 109.648 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' ASN . . . -63.34 -145.22 0.02 OUTLIER Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.064 -1.615 . . . . 0.0 109.064 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -155.72 154.33 31.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.323 -1.104 . . . . 0.0 110.085 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.701 HG21 ' HG ' ' B' ' 33' ' ' LEU . 6.5 m -134.99 154.11 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 11.4 p-10 -130.02 -159.23 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.146 -0.972 . . . . 0.0 109.919 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.7 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.1 p90 -60.02 -48.68 80.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.688 -0.633 . . . . 0.0 111.661 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.7 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -71.34 -29.31 64.84 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.273 -1.517 . . . . 0.0 109.443 -178.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.504 ' HG2' HG12 ' B' ' 69' ' ' VAL . 28.5 tp10 -82.05 -36.01 28.13 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.393 -0.817 . . . . 0.0 108.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 78' ' ' VAL . 7.4 t80 -69.99 -39.28 76.02 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.778 0.799 . . . . 0.0 109.218 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.19 -41.5 58.39 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 O-C-N 121.401 -0.812 . . . . 0.0 110.487 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.9 t -70.02 -40.08 78.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.68 -0.637 . . . . 0.0 111.088 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.77 -36.07 65.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.406 -0.809 . . . . 0.0 109.795 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 74' ' ' PHE . 76.6 t -69.88 -40.05 78.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 108.971 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.93 85.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.541 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 62.5 tp -62.52 -40.03 95.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 108.935 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.505 HG23 ' CE2' ' B' ' 44' ' ' PHE . 6.9 m -53.91 -37.49 63.84 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.968 -1.083 . . . . 0.0 108.527 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.541 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -59.78 -27.43 38.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.015 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.021 -178.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.649 ' O ' ' N ' ' B' ' 87' ' ' ASN . 0.0 OUTLIER -143.75 65.05 1.32 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.021 -1.049 . . . . 0.0 108.93 -177.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -63.72 41.58 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.346 -0.846 . . . . 0.0 108.961 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.652 ' N ' HD22 ' B' ' 87' ' ' ASN . 0.0 OUTLIER -60.87 152.38 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.533 0.683 . . . . 0.0 111.432 -179.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -126.67 -56.12 1.39 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -91.49 -18.0 24.84 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -88.19 46.35 1.37 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.962 -1.086 . . . . 0.0 109.904 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -70.01 150.03 47.08 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -65.97 153.25 42.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.131 -0.98 . . . . 0.0 109.429 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.414 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.893 2.717 . . . . 0.0 119.893 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -92.64 160.18 15.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -1.218 . . . . 0.0 109.128 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.652 ' HB3' HG22 ' B' ' 14' ' ' VAL . 43.4 mt-10 -60.88 -50.0 75.18 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.118 -0.989 . . . . 0.0 110.466 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.877 ' CD1' ' CG1' ' B' ' 14' ' ' VAL . 6.2 mp -69.95 -41.54 74.42 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.994 -1.066 . . . . 0.0 110.82 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.66 -45.04 95.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.817 -1.177 . . . . 0.0 109.741 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.9 m -60.27 -39.9 88.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.568 -0.708 . . . . 0.0 109.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.19 88.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 110.461 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -42.82 95.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.938 -1.101 . . . . 0.0 110.361 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.9 -40.21 96.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.022 -1.049 . . . . 0.0 109.972 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.409 -0.807 . . . . 0.0 110.519 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 91.8 mt -59.65 -40.03 86.34 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.092 -1.005 . . . . 0.0 110.165 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.42 -46.43 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.94 -1.1 . . . . 0.0 110.807 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.023 -1.048 . . . . 0.0 110.284 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.833 ' CG1' ' CD1' ' B' ' 4' ' ' LEU . 75.4 t -64.07 -39.77 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.174 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 6.4 m-30 -57.12 -39.88 75.99 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.0 t60 -56.7 -29.31 62.27 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.42 69.74 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.011 -1.056 . . . . 0.0 110.167 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -78.71 -40.44 33.7 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.451 -1.405 . . . . 0.0 110.736 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 22.3 m -100.88 17.47 22.08 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.059 -1.026 . . . . 0.0 111.085 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -56.35 -5.66 1.21 Allowed Glycine 0 N--CA 1.484 1.842 0 C-N-CA 118.673 -1.727 . . . . 0.0 109.537 -178.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 19' ' ' SER . 87.8 tttt -68.52 121.46 16.42 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -59.75 -39.51 85.03 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -71.49 0.59 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -101.97 82.31 2.22 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.463 -1.022 . . . . 0.0 110.26 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -69.96 -24.63 63.37 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.928 -1.108 . . . . 0.0 108.951 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' O ' ' OG ' ' A' ' 19' ' ' SER . 75.2 m-85 -49.99 171.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HB3' HG23 ' A' ' 69' ' ' VAL . 28.2 tptp -56.89 -80.97 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 118.497 -1.281 . . . . 0.0 108.092 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -171.77 161.01 5.82 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.075 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -50.09 148.3 3.47 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 45.4 mttm -53.29 -49.17 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.501 -1.374 . . . . 0.0 110.351 -178.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.38 -44.09 75.75 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.674 -1.266 . . . . 0.0 111.442 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -70.81 -40.1 72.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.817 -1.177 . . . . 0.0 109.71 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.732 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -54.51 -47.8 72.65 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.928 -0.483 . . . . 0.0 111.192 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG2' ' HZ2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -66.89 -40.12 87.67 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.941 -1.724 . . . . 0.0 110.845 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.66 -27.63 67.02 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.619 -1.301 . . . . 0.0 109.51 -178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.31 -59.91 2.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.639 -0.663 . . . . 0.0 111.41 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 37' ' ' LEU . 10.9 mp -78.0 -39.81 41.02 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.571 -1.331 . . . . 0.0 113.075 -177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -54.52 -32.43 58.1 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.359 -1.463 . . . . 0.0 108.075 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -74.43 -39.86 62.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -35.91 75.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.12 31.58 1.88 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -60.09 -40.12 88.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.909 -1.12 . . . . 0.0 110.475 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 67.6 m -61.45 -32.89 72.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.409 -0.807 . . . . 0.0 108.911 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 46' ' ' ASP . 33.3 m-85 -59.84 -39.63 85.82 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.061 -1.456 . . . . 0.0 107.272 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 mt -57.39 -5.43 0.32 Allowed 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 44' ' ' PHE . 65.0 m-20 -50.31 -34.91 25.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.02 -1.05 . . . . 0.0 108.893 -179.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.1 p -140.02 100.58 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.244 -0.91 . . . . 0.0 110.451 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 48' ' ' GLN . 10.2 pt20 -70.01 114.96 8.68 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.666 -1.272 . . . . 0.0 108.967 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 84' ' ' ALA . 35.9 mmtm -90.02 -79.76 0.33 Allowed 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.646 -0.659 . . . . 0.0 109.546 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -99.86 101.6 12.78 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-O 122.095 0.95 . . . . 0.0 110.14 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.05 -17.95 61.98 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -71.03 -39.99 71.98 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.691 -0.63 . . . . 0.0 109.32 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.4 -50.99 63.39 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.281 -0.887 . . . . 0.0 109.352 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.638 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -60.02 -36.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -60.22 -39.82 87.99 Favored 'General case' 0 C--N 1.29 -1.985 0 O-C-N 121.476 -0.765 . . . . 0.0 110.09 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.88 -40.0 83.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.901 -1.124 . . . . 0.0 109.076 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.499 HD11 ' CB ' ' A' ' 80' ' ' ALA . 96.7 mt -60.01 -40.08 82.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 109.554 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.55 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.53 -29.04 68.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.395 -0.815 . . . . 0.0 109.615 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.67 -39.48 88.54 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.979 -1.076 . . . . 0.0 109.892 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 65.4 mm-40 -68.12 -39.95 82.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.893 -1.129 . . . . 0.0 110.485 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -69.51 -30.32 68.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.312 -0.867 . . . . 0.0 111.617 -178.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.1 t0 -92.44 -31.04 15.43 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.11 -0.994 . . . . 0.0 111.109 -177.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.513 ' CG ' HD22 ' A' ' 64' ' ' ASN . 18.5 pt-20 -70.22 -31.12 68.41 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.159 -0.963 . . . . 0.0 108.966 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.513 HD22 ' CG ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -159.45 53.34 0.38 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.477 -0.765 . . . . 0.0 109.178 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.72 -27.69 9.7 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.925 -1.67 . . . . 0.0 108.925 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -82.2 -3.14 54.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.426 -1.044 . . . . 0.0 110.204 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.96 -145.41 0.16 Allowed Glycine 0 N--CA 1.488 2.126 0 N-CA-C 109.016 -1.634 . . . . 0.0 109.016 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -157.61 155.18 29.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.123 -1.222 . . . . 0.0 111.289 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 27' ' ' LYS . 13.7 m -131.54 157.27 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 13.6 m-20 -124.96 -155.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 31.6 p90 -63.8 -45.51 89.36 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.39 -0.819 . . . . 0.0 112.373 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.65 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.2 tt0 -75.22 -32.29 61.12 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.387 -1.446 . . . . 0.0 109.553 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 71.9 mt-10 -78.5 -39.91 36.81 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 118.965 -1.094 . . . . 0.0 111.188 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -79.81 -31.87 40.7 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.63 -1.294 . . . . 0.0 108.535 -179.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 71' ' ' PHE . 59.4 t -69.76 -39.92 78.52 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 C-N-CA 118.916 -1.114 . . . . 0.0 109.327 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.2 t -68.54 -40.13 81.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.413 -0.804 . . . . 0.0 109.844 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.59 -36.75 81.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.972 -1.08 . . . . 0.0 109.764 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.71 -40.14 78.89 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.324 -0.86 . . . . 0.0 109.628 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.77 87.07 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -62.48 -36.98 84.21 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.61 -39.99 95.52 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.77 -1.206 . . . . 0.0 109.546 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -60.48 -40.04 89.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.71 -37.26 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.638 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -70.02 -22.18 63.13 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.788 -0.57 . . . . 0.0 109.915 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.584 ' O ' ' N ' ' A' ' 87' ' ' ASN . 3.5 m -149.47 65.56 1.01 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.416 ' H ' ' HG3' ' A' ' 49' ' ' LYS . 22.6 t-20 -66.28 50.64 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 85' ' ' CYS . 63.3 t30 -57.01 136.91 56.3 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.412 0.625 . . . . 0.0 109.997 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -141.12 -82.28 0.23 Allowed 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 50.5 t80 -90.28 -10.48 44.04 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.165 -0.959 . . . . 0.0 109.693 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 23.3 m0 -87.74 43.72 1.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.258 -0.901 . . . . 0.0 109.715 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' HA ' HD21 ' A' ' 87' ' ' ASN . 100.0 mt-10 -73.7 150.67 41.07 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 92' ' ' ASN . 18.0 p-10 -68.75 152.32 45.48 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.947 -1.096 . . . . 0.0 110.005 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.428 179.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.953 0 N-CA-C 119.834 2.694 . . . . 0.0 119.834 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -92.36 160.14 15.25 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.035 -1.273 . . . . 0.0 109.2 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.623 ' HB3' HG22 ' A' ' 14' ' ' VAL . 43.7 mt-10 -61.14 -49.89 75.43 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.225 -0.922 . . . . 0.0 110.507 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.833 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 6.2 mp -70.11 -41.46 73.95 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.938 -1.101 . . . . 0.0 110.526 -179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.1 -45.74 93.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.854 -1.154 . . . . 0.0 109.842 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.1 m -59.94 -40.11 87.84 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.18 87.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.555 -0.716 . . . . 0.0 110.419 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -43.14 95.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.024 -1.047 . . . . 0.0 110.278 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.64 -40.15 96.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.042 -1.037 . . . . 0.0 110.189 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -64.98 -39.89 94.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.488 -0.758 . . . . 0.0 110.68 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.8 mt -60.07 -39.67 86.83 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.143 -0.973 . . . . 0.0 110.129 -178.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.96 -46.42 96.54 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 O-C-N 121.001 -1.062 . . . . 0.0 110.644 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -61.23 -40.14 92.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.997 -1.065 . . . . 0.0 110.168 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.877 ' CG1' ' CD1' ' A' ' 4' ' ' LEU . 64.8 t -63.64 -39.88 87.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.391 -0.818 . . . . 0.0 110.18 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 6.5 m-30 -57.01 -40.11 76.02 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' B' ' 20' ' ' GLY . 72.8 t60 -56.64 -29.27 62.06 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.99 -51.5 69.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.987 -1.071 . . . . 0.0 110.155 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -78.52 -40.74 34.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.564 -1.335 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.476 ' C ' ' H ' ' B' ' 21' ' ' LYS . 19.9 m -100.95 17.86 21.17 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.135 -0.978 . . . . 0.0 111.016 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -56.77 -5.0 1.1 Allowed Glycine 0 N--CA 1.484 1.864 0 C-N-CA 118.388 -1.863 . . . . 0.0 109.546 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' B' ' 19' ' ' SER . 88.2 tttt -68.57 121.34 16.21 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.48 -39.48 83.87 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.11 -72.3 0.48 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -101.64 82.76 2.32 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.397 -1.061 . . . . 0.0 110.287 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.96 -24.39 63.33 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.928 -1.108 . . . . 0.0 108.939 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' B' ' 19' ' ' SER . 73.4 m-85 -50.18 171.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.576 ' HB3' HG23 ' B' ' 69' ' ' VAL . 29.0 tptp -56.88 -81.06 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.53 -1.356 . . . . 0.0 108.089 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.507 HD22 ' O ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -171.34 161.0 6.35 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.47 -0.892 . . . . 0.0 108.99 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -50.21 147.79 3.95 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 46.5 mttm -52.9 -49.25 66.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.311 -1.493 . . . . 0.0 110.522 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.19 -44.45 75.32 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.677 -1.264 . . . . 0.0 111.29 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.58 -39.91 73.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.87 -1.144 . . . . 0.0 109.758 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.748 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.2 tm? -54.46 -47.41 72.95 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.92 -0.487 . . . . 0.0 111.357 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' HG2' ' HZ2' ' B' ' 34' ' ' LYS . 0.6 OUTLIER -67.54 -40.09 85.02 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.036 -1.665 . . . . 0.0 110.652 -177.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -67.56 -27.7 67.17 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.657 -1.277 . . . . 0.0 109.455 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.04 -59.82 2.55 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.537 -0.727 . . . . 0.0 111.567 -178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.4 mp -78.45 -40.01 36.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.582 -1.323 . . . . 0.0 112.791 -177.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -53.8 -33.09 54.95 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.483 -1.385 . . . . 0.0 108.192 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -74.37 -40.0 62.38 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -35.47 76.87 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.84 31.43 2.1 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 m -60.11 -40.13 88.64 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.863 -1.148 . . . . 0.0 110.356 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.3 m -60.79 -33.24 72.68 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.481 ' C ' ' H ' ' B' ' 46' ' ' ASP . 33.8 m-85 -59.93 -39.63 86.18 Favored 'General case' 0 C--N 1.291 -1.969 0 C-N-CA 118.236 -1.386 . . . . 0.0 107.38 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 47.8 mt -57.84 -5.23 0.38 Allowed 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' B' ' 44' ' ' PHE . 64.2 m-20 -50.13 -34.9 23.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.972 -1.08 . . . . 0.0 108.846 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 47' ' ' VAL . 3.0 p -140.09 100.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.185 -0.947 . . . . 0.0 110.475 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 48' ' ' GLN . 10.1 pt20 -69.88 115.13 8.75 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.697 -1.252 . . . . 0.0 108.959 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.606 ' N ' ' O ' ' B' ' 84' ' ' ALA . 35.4 mmtm -89.93 -79.95 0.33 Allowed 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.574 -0.704 . . . . 0.0 109.486 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -99.62 101.52 12.75 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-O 122.156 0.979 . . . . 0.0 110.299 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.12 -17.85 61.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.347 -0.846 . . . . 0.0 108.991 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -71.29 -39.94 71.17 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.717 -0.614 . . . . 0.0 109.375 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.51 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -65.53 -51.0 63.14 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.41 -0.807 . . . . 0.0 109.214 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.665 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -37.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.84 -40.17 87.63 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.436 -0.79 . . . . 0.0 109.743 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -67.38 -39.95 85.68 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.937 -1.102 . . . . 0.0 109.374 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.487 HD11 ' CB ' ' B' ' 80' ' ' ALA . 95.6 mt -60.14 -40.15 82.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 O-C-N 121.384 -0.823 . . . . 0.0 109.427 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.2 -29.64 68.84 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.625 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.1 -39.7 87.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.2 -0.938 . . . . 0.0 109.942 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 65.0 mm-40 -68.0 -39.98 83.1 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.999 -1.063 . . . . 0.0 110.594 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -69.34 -30.65 68.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.289 -0.882 . . . . 0.0 111.442 -178.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 49.4 t0 -92.18 -31.12 15.59 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.066 -1.021 . . . . 0.0 111.08 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.53 ' CG ' HD22 ' B' ' 64' ' ' ASN . 18.4 pt-20 -70.1 -31.36 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.136 -0.978 . . . . 0.0 109.082 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.53 HD22 ' CG ' ' B' ' 63' ' ' GLU . 0.0 OUTLIER -158.99 53.71 0.41 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.563 -0.711 . . . . 0.0 109.117 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.97 -27.91 11.18 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 p-10 -82.01 -2.9 53.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.439 -1.036 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.46 -145.33 0.2 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -157.35 155.72 31.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.254 . . . . 0.0 111.487 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' B' ' 27' ' ' LYS . 13.9 m -132.02 157.1 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.53 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 12.4 m-20 -124.67 -154.94 0.64 Allowed 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 30.8 p90 -64.23 -45.09 89.72 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.404 -0.81 . . . . 0.0 112.349 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.644 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.1 tt0 -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 120.413 -1.429 . . . . 0.0 109.726 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.53 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 71.5 mt-10 -78.33 -39.91 38.13 Favored 'General case' 0 C--N 1.286 -2.154 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.137 -177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -80.04 -31.78 39.5 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.663 -1.273 . . . . 0.0 108.557 -179.386 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 71' ' ' PHE . 64.7 t -70.02 -40.06 78.08 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.101 0 C-N-CA 118.953 -1.099 . . . . 0.0 109.252 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -68.29 -40.01 81.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.405 -0.809 . . . . 0.0 110.0 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -67.66 -37.15 81.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.984 -1.072 . . . . 0.0 109.855 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.28 -40.04 79.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 O-C-N 121.361 -0.837 . . . . 0.0 109.511 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.77 87.72 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.447 -1.686 . . . . 0.0 106.447 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.536 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -62.83 -36.64 83.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.94 -40.18 96.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.637 -1.29 . . . . 0.0 109.539 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -60.16 -39.84 87.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.407 -0.808 . . . . 0.0 109.489 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.536 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -60.09 -37.03 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.665 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -70.02 -22.08 63.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' B' ' 87' ' ' ASN . 3.8 m -149.69 65.46 0.99 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.424 ' H ' ' HG3' ' B' ' 49' ' ' LYS . 22.4 t-20 -66.0 49.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.588 ' N ' ' O ' ' B' ' 85' ' ' CYS . 62.9 t30 -56.16 137.03 52.43 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.403 0.621 . . . . 0.0 109.974 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.15 -82.34 0.23 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.507 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 52.2 t80 -90.21 -10.5 44.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.188 -0.945 . . . . 0.0 109.518 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -87.39 42.58 1.05 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.233 -0.917 . . . . 0.0 109.911 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.98 150.01 44.46 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' B' ' 92' ' ' ASN . 17.1 p-10 -68.84 151.99 45.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.89 -1.132 . . . . 0.0 109.707 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.564 179.861 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.858 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -75.93 155.64 34.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.218 -1.166 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' HB2' HG13 ' B' ' 14' ' ' VAL . 48.3 mt-10 -60.04 -44.18 94.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 110.029 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.85 -40.04 76.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.013 -1.054 . . . . 0.0 109.399 -179.354 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.631 ' OE1' ' O ' ' B' ' 40' ' ' GLU . 10.6 tp10 -59.96 -40.07 87.75 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.03 -40.32 88.93 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.001 -1.062 . . . . 0.0 109.697 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.64 79.69 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.605 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.98 -40.1 87.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.357 -0.84 . . . . 0.0 109.529 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.91 -40.0 87.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -59.91 -39.75 86.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.7 mt -59.88 -39.99 87.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.001 -1.062 . . . . 0.0 109.896 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.03 -41.33 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.64 -1.287 . . . . 0.0 109.442 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -62.0 -40.0 94.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.401 -0.812 . . . . 0.0 111.253 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' B' ' 3' ' ' GLU . 38.8 t -70.09 -39.95 77.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 O-C-N 120.481 -1.387 . . . . 0.0 111.523 -178.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.573 ' HD1' ' HZ1' ' A' ' 27' ' ' LYS . 14.7 m-85 -54.52 -37.11 64.98 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.438 -1.414 . . . . 0.0 107.614 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 20' ' ' GLY . 83.9 t60 -60.09 -39.76 87.22 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.331 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.76 -53.51 57.56 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.96 -1.088 . . . . 0.0 111.031 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -74.73 -40.78 61.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.525 -1.359 . . . . 0.0 110.771 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 21' ' ' LYS . 58.2 m -89.67 -1.06 57.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.12 -0.988 . . . . 0.0 111.15 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -64.32 17.01 0.12 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.243 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 23' ' ' GLY . 9.0 mtpm? -70.53 1.85 4.67 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.73 -1.453 . . . . 0.0 108.856 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 20' ' ' GLY . 44.1 mm-40 64.57 -26.41 0.09 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.682 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -81.7 -71.5 1.29 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.881 -1.687 . . . . 0.0 108.881 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -88.7 71.59 8.74 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 26' ' ' TYR . 19.7 ttpp -60.02 -29.91 68.81 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.548 -0.72 . . . . 0.0 109.203 -179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CG ' ' OE2' ' A' ' 68' ' ' GLU . 88.1 m-85 -54.52 -172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.601 ' O ' HD22 ' A' ' 28' ' ' LEU . 11.4 tppt? -67.1 -80.39 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.233 -1.542 . . . . 0.0 109.038 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -174.86 177.71 1.97 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -178.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.5 t -69.99 149.32 47.85 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 60' ' ' GLU . 3.0 mtmt -54.51 -40.11 68.24 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.395 -1.441 . . . . 0.0 109.596 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.98 -51.49 67.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.011 -1.68 . . . . 0.0 110.199 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ASP . 54.9 tp10 -66.01 -40.06 90.78 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.638 -1.289 . . . . 0.0 108.214 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.856 HD23 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -44.82 -41.59 7.15 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.856 ' N ' HD23 ' A' ' 33' ' ' LEU . 5.9 tptp -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.144 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLU . 57.5 t0 -59.57 -33.95 72.07 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 118.82 -1.152 . . . . 0.0 108.692 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 36' ' ' LEU . 9.2 mp -72.78 -56.08 5.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.363 -0.836 . . . . 0.0 111.659 -178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -60.01 -47.47 85.7 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.87 -1.144 . . . . 0.0 111.679 -177.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.48 -17.22 63.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.546 -177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 1.8 m -81.72 -36.24 28.86 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.405 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.653 ' O ' ' OE1' ' B' ' 5' ' ' GLU . 10.8 pt-20 -89.08 -6.7 56.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.089 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 45' ' ' LEU . 15.5 mt -111.7 29.99 7.37 Favored 'General case' 0 N--CA 1.504 2.225 0 O-C-N 121.157 -0.964 . . . . 0.0 109.653 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -41.09 91.41 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.303 -0.873 . . . . 0.0 110.954 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 96.8 p -75.37 -35.84 61.04 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.39 -0.819 . . . . 0.0 108.971 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CD2' ' ND2' ' A' ' 87' ' ' ASN . 23.1 m-85 -60.42 -39.5 87.63 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 41' ' ' LEU . 6.3 mp -62.35 2.5 0.25 Allowed 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 44' ' ' PHE . 79.8 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.954 -1.091 . . . . 0.0 109.223 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.57 99.31 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.333 -0.854 . . . . 0.0 109.903 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.5 115.02 6.65 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.09 -1.006 . . . . 0.0 108.783 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -91.66 -74.97 0.49 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.557 -0.714 . . . . 0.0 110.006 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -98.03 104.27 16.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.02 -1.05 . . . . 0.0 109.927 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.82 -16.65 60.69 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -70.62 -39.55 73.68 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.03 60.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.679 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -59.92 -36.77 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 43.4 t0 -59.98 -40.07 87.88 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 121.619 -0.675 . . . . 0.0 110.259 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.14 -38.81 86.17 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.012 -1.055 . . . . 0.0 109.638 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.446 HG23 HD21 ' A' ' 77' ' ' LEU . 78.2 mt -60.0 -40.05 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 O-C-N 121.573 -0.704 . . . . 0.0 109.35 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.622 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.75 -33.84 76.55 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.326 -0.859 . . . . 0.0 109.301 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -41.85 96.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.081 -1.012 . . . . 0.0 111.385 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 71.6 mm-40 -60.1 -40.31 89.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.889 -1.132 . . . . 0.0 110.118 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 30' ' ' LYS . 18.6 mt -66.38 -25.21 66.67 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 122.041 0.924 . . . . 0.0 108.58 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.23 -29.14 38.43 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -59.99 -41.51 92.23 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.659 HD22 ' CA ' ' A' ' 67' ' ' GLY . 48.6 t30 -169.08 73.88 0.09 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . -49.59 -25.65 6.78 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -87.42 0.16 55.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.341 -1.094 . . . . 0.0 109.888 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.659 ' CA ' HD22 ' A' ' 64' ' ' ASN . . . -63.21 -152.34 0.05 OUTLIER Glycine 0 N--CA 1.477 1.421 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' OE2' ' CG ' ' A' ' 26' ' ' TYR . 85.7 tt0 -146.91 152.76 39.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.498 -1.001 . . . . 0.0 110.454 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.703 HG21 HD12 ' A' ' 33' ' ' LEU . 10.3 m -133.68 160.32 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.503 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 90.5 m-20 -128.12 -160.11 0.99 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.34 0.59 . . . . 0.0 109.61 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 1.2 p90 -61.88 -45.09 95.26 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.81 . . . . 0.0 111.69 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.6 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 66.4 tt0 -70.8 -31.49 68.26 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.931 -1.106 . . . . 0.0 109.837 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.9 mt-10 -76.88 -35.68 57.26 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.987 -1.071 . . . . 0.0 108.887 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 78' ' ' VAL . 56.9 t80 -69.94 -39.41 76.1 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.115 0.959 . . . . 0.0 109.407 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.6 t -73.84 -42.01 53.83 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.588 -0.695 . . . . 0.0 111.508 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.28 -40.91 78.47 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 121.548 -0.72 . . . . 0.0 110.598 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD21 HG23 ' A' ' 57' ' ' ILE . 6.7 tp -74.4 -32.3 62.65 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.374 -0.829 . . . . 0.0 109.728 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 74' ' ' PHE . 53.0 t -70.0 -40.23 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.302 -0.874 . . . . 0.0 109.187 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.91 95.88 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.784 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.79 -36.39 78.89 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 81' ' ' LEU . 2.5 tt -69.99 -37.73 75.79 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.403 -1.436 . . . . 0.0 108.969 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -60.01 -40.04 87.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.261 -0.9 . . . . 0.0 110.178 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.4 p -58.43 -31.96 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 108.999 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.679 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.12 -24.22 64.08 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.866 -0.521 . . . . 0.0 110.465 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' A' ' 87' ' ' ASN . 1.5 m -147.74 52.62 1.04 Allowed 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -67.55 46.77 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.618 HD22 ' N ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER -41.12 117.09 0.82 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.4 -179.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -107.32 -59.97 1.75 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.722 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 64.9 t80 -85.76 -14.11 46.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.163 -0.961 . . . . 0.0 109.876 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 21.3 m-90 -96.48 41.15 1.11 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.17 -0.956 . . . . 0.0 109.766 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.35 143.89 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.462 -0.774 . . . . 0.0 109.267 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -70.11 154.05 42.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.208 -0.932 . . . . 0.0 110.008 -179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.593 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.889 0 N-CA-C 119.439 2.536 . . . . 0.0 119.439 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -75.82 155.2 35.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -1.132 . . . . 0.0 109.348 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.439 ' HB2' HG13 ' A' ' 14' ' ' VAL . 48.1 mt-10 -60.02 -43.98 94.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.905 . . . . 0.0 109.989 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.403 ' N ' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.991 -1.068 . . . . 0.0 109.464 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.653 ' OE1' ' O ' ' A' ' 40' ' ' GLU . 10.6 tp10 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.254 -0.904 . . . . 0.0 110.183 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -60.04 -40.34 89.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.965 -1.084 . . . . 0.0 109.563 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.59 79.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.415 -0.803 . . . . 0.0 109.73 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.0 tpt -60.01 -40.04 87.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.407 -0.808 . . . . 0.0 109.493 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -60.02 -39.8 87.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 0.0 108.718 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 93.6 m -59.98 -39.84 87.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.421 -0.799 . . . . 0.0 109.591 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.95 -40.02 87.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.955 -1.091 . . . . 0.0 109.869 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.99 -41.15 85.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 120.832 -1.167 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -62.42 -39.86 94.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.553 -0.717 . . . . 0.0 111.322 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 3' ' ' GLU . 40.7 t -70.03 -40.07 78.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 O-C-N 120.492 -1.38 . . . . 0.0 111.55 -178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.541 ' HD1' ' HZ1' ' B' ' 27' ' ' LYS . 14.8 m-85 -54.27 -37.18 64.44 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.482 -1.387 . . . . 0.0 107.595 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.53 ' O ' ' N ' ' B' ' 20' ' ' GLY . 83.5 t60 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.293 -1.849 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -53.55 57.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.981 -1.075 . . . . 0.0 110.98 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -74.81 -40.57 61.02 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.442 -1.411 . . . . 0.0 110.844 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.51 ' C ' ' H ' ' B' ' 21' ' ' LYS . 53.7 m -89.76 -0.97 57.87 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.053 -1.029 . . . . 0.0 111.165 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -64.44 17.26 0.12 Allowed Glycine 0 N--CA 1.493 2.47 0 C-N-CA 119.577 -1.297 . . . . 0.0 111.227 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' B' ' 23' ' ' GLY . 9.2 mtpm? -70.79 1.94 4.82 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.648 -1.501 . . . . 0.0 108.756 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' B' ' 20' ' ' GLY . 43.9 mm-40 64.68 -26.33 0.09 Allowed 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.629 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -81.98 -71.44 1.3 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 24' ' ' ASP . 30.5 p-10 -88.55 71.67 8.87 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 17.4 ttpp -60.03 -29.87 68.79 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.513 -0.742 . . . . 0.0 109.173 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.46 ' CG ' ' OE2' ' B' ' 68' ' ' GLU . 87.1 m-85 -54.71 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.565 ' O ' HD22 ' B' ' 28' ' ' LEU . 11.2 tppt? -66.77 -80.61 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.378 -1.451 . . . . 0.0 109.071 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.69 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -174.66 177.9 2.01 Favored 'General case' 0 N--CA 1.507 2.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -178.187 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -70.04 149.29 47.83 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.486 ' CE ' ' O ' ' B' ' 60' ' ' GLU . 2.8 mtmt -54.35 -40.46 68.1 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.337 -1.477 . . . . 0.0 109.651 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -61.7 -51.83 66.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.013 -1.68 . . . . 0.0 110.256 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 35' ' ' ASP . 54.7 tp10 -65.71 -40.3 92.1 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.633 -1.292 . . . . 0.0 108.162 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.853 HD23 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -44.45 -41.93 6.66 Favored 'General case' 0 C--O 1.2 -1.5 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.853 ' N ' HD23 ' B' ' 33' ' ' LEU . 5.6 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' B' ' 32' ' ' GLU . 58.3 t0 -59.58 -33.79 71.89 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.761 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 36' ' ' LEU . 9.1 mp -72.77 -56.18 5.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.308 -0.87 . . . . 0.0 111.676 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.684 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -60.05 -47.36 86.2 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.814 -1.179 . . . . 0.0 111.749 -177.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -69.4 -17.43 63.66 Favored 'General case' 0 C--N 1.278 -2.506 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 -36.03 29.31 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.549 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.631 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 10.6 pt-20 -89.41 -6.4 56.6 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.359 -0.838 . . . . 0.0 109.964 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' HD13 ' B' ' 45' ' ' LEU . 15.5 mt -111.61 29.85 7.48 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.198 -0.939 . . . . 0.0 109.65 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 67.5 m -59.97 -41.31 91.67 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.321 -0.862 . . . . 0.0 110.965 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.421 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 96.2 p -75.03 -36.25 61.88 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.206 -0.934 . . . . 0.0 108.889 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.528 ' CD2' ' ND2' ' B' ' 87' ' ' ASN . 22.7 m-85 -60.0 -39.94 87.47 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 41' ' ' LEU . 5.8 mp -61.93 2.42 0.21 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' B' ' 44' ' ' PHE . 80.3 m-20 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.911 -1.118 . . . . 0.0 109.232 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.62 99.34 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.293 -0.879 . . . . 0.0 110.014 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.25 114.75 6.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.12 -0.987 . . . . 0.0 108.78 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' B' ' 84' ' ' ALA . 0.0 OUTLIER -91.44 -75.18 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.672 -0.642 . . . . 0.0 109.806 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -98.08 104.4 16.43 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.047 -1.033 . . . . 0.0 109.961 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.65 -17.08 60.74 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -70.42 -39.8 74.22 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.66 -51.25 58.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.352 -0.842 . . . . 0.0 109.463 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.67 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -59.89 -36.72 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.236 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 44.1 t0 -60.0 -40.0 87.7 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.604 -0.685 . . . . 0.0 110.258 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -67.26 -38.73 85.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.911 -1.118 . . . . 0.0 109.623 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.463 HG23 HD21 ' B' ' 77' ' ' LEU . 75.1 mt -59.97 -40.08 82.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.569 0.699 . . . . 0.0 109.395 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.614 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -63.81 -33.68 76.21 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 121.315 -0.865 . . . . 0.0 109.343 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.27 -41.65 97.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.01 -1.056 . . . . 0.0 110.999 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.486 ' O ' ' CE ' ' B' ' 30' ' ' LYS . 71.8 mm-40 -60.05 -40.46 89.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 110.074 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.469 HD22 ' O ' ' B' ' 30' ' ' LYS . 16.2 mt -66.58 -24.97 66.42 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.05 -29.2 39.22 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -60.05 -41.49 92.42 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.66 HD22 ' CA ' ' B' ' 67' ' ' GLY . 48.3 t30 -169.27 74.16 0.09 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 61' ' ' LEU . . . -49.56 -26.02 7.06 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.29 0.45 55.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.335 -1.097 . . . . 0.0 109.838 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.66 ' CA ' HD22 ' B' ' 64' ' ' ASN . . . -63.02 -152.54 0.05 OUTLIER Glycine 0 N--CA 1.479 1.515 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.46 ' OE2' ' CG ' ' B' ' 26' ' ' TYR . 85.8 tt0 -146.89 152.81 39.31 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.525 -0.985 . . . . 0.0 110.399 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.715 HG21 HD12 ' B' ' 33' ' ' LEU . 9.8 m -133.83 160.38 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.513 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 89.0 m-20 -128.08 -160.25 1.0 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.4 0.619 . . . . 0.0 109.664 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.613 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 1.2 p90 -61.67 -44.91 96.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.353 -0.842 . . . . 0.0 111.734 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.613 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 66.0 tt0 -71.1 -31.37 67.71 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.937 -1.102 . . . . 0.0 109.85 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 46.2 mt-10 -76.84 -35.93 57.18 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.008 -1.058 . . . . 0.0 108.864 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.73 ' O ' HG23 ' B' ' 78' ' ' VAL . 59.6 t80 -69.66 -40.02 76.7 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 122.054 0.931 . . . . 0.0 109.35 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -73.28 -42.08 57.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 121.57 0.7 . . . . 0.0 111.618 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.27 -41.13 78.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.117 0 O-C-N 121.527 -0.733 . . . . 0.0 110.713 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.463 HD21 HG23 ' B' ' 57' ' ' ILE . 7.2 tp -74.47 -32.05 62.44 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.506 -0.746 . . . . 0.0 109.758 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.0 t -70.04 -39.98 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.295 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.81 95.46 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.76 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.74 -36.57 79.22 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.405 0.621 . . . . 0.0 109.441 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.611 ' O ' HD23 ' B' ' 81' ' ' LEU . 2.3 tt -69.79 -37.94 76.48 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.335 -1.478 . . . . 0.0 108.989 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -60.06 -39.94 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.156 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.76 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.4 p -58.47 -32.21 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.207 -0.933 . . . . 0.0 108.914 -179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.67 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -69.15 -23.83 64.0 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.761 -0.587 . . . . 0.0 110.473 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' B' ' 87' ' ' ASN . 1.7 m -147.79 52.4 1.04 Allowed 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -67.52 46.67 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.635 ' N ' HD22 ' B' ' 87' ' ' ASN . 0.0 OUTLIER -40.99 117.08 0.8 Allowed 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -107.17 -59.97 1.74 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.236 -0.915 . . . . 0.0 109.713 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 64.7 t80 -85.84 -14.3 45.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.224 -0.923 . . . . 0.0 109.863 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -96.28 40.99 1.11 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.127 -0.983 . . . . 0.0 109.791 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -69.93 144.16 52.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 109.228 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.673 HD22 ' N ' ' B' ' 92' ' ' ASN . 0.0 OUTLIER -70.13 154.08 42.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.124 -0.985 . . . . 0.0 109.959 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.621 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.78 0 N-CA-C 118.234 2.053 . . . . 0.0 118.234 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.608 ' CB ' ' OE2' ' B' ' 40' ' ' GLU . 57.8 m -93.35 166.91 12.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.024 -1.28 . . . . 0.0 109.333 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' B' ' 14' ' ' VAL . 99.0 mt-10 -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.555 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.176 ' CD2' HD22 ' B' ' 37' ' ' LEU . 4.2 tp -79.24 -54.01 6.39 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 111.185 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.68 -39.62 89.13 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.866 -1.146 . . . . 0.0 109.822 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.7 m -60.66 -40.54 92.42 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.062 -1.024 . . . . 0.0 110.433 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.453 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.65 -48.81 80.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 111.336 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.63 -39.39 88.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.116 -0.99 . . . . 0.0 110.335 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.8 -40.39 88.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.386 -1.446 . . . . 0.0 108.28 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -63.87 -37.3 86.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.694 -0.629 . . . . 0.0 109.482 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD11 HD11 ' B' ' 11' ' ' LEU . 7.7 mp -57.06 -44.38 82.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.547 -0.721 . . . . 0.0 109.89 -178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.5 -41.42 90.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 109.709 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -60.98 -40.99 95.54 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.261 -0.899 . . . . 0.0 112.054 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG13 ' HB3' ' B' ' 3' ' ' GLU . 37.8 t -71.14 -40.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 120.384 -1.447 . . . . 0.0 111.6 -177.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 3.1 m-30 -58.42 -36.69 74.0 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.583 ' O ' ' N ' ' A' ' 20' ' ' GLY . 59.7 t-80 -60.01 -33.88 72.6 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.0 63.19 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.899 -1.126 . . . . 0.0 109.649 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -71.58 -39.91 70.27 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.392 -1.443 . . . . 0.0 109.91 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 21' ' ' LYS . 58.3 m -80.16 -11.8 59.71 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.186 -0.946 . . . . 0.0 110.56 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -59.06 11.63 0.02 OUTLIER Glycine 0 N--CA 1.489 2.171 0 C-N-CA 119.813 -1.184 . . . . 0.0 110.586 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 19' ' ' SER . 83.6 tttt -55.64 -13.5 1.67 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.81 -1.406 . . . . 0.0 107.877 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 20' ' ' GLY . 56.0 tt0 79.4 -15.65 0.74 Allowed 'General case' 0 C--N 1.288 -2.067 0 CA-C-N 114.369 -1.287 . . . . 0.0 108.681 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.26 -81.02 0.52 Allowed Glycine 0 N--CA 1.485 1.954 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -100.41 105.9 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -1.052 . . . . 0.0 108.499 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -62.63 -30.19 71.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.048 -1.032 . . . . 0.0 109.423 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -51.38 175.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' HD22 ' A' ' 28' ' ' LEU . 27.5 tptt -56.26 -79.72 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 118.45 -1.3 . . . . 0.0 109.369 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -173.29 158.8 3.65 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.328 -0.858 . . . . 0.0 109.434 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -50.21 152.95 1.59 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.398 -1.439 . . . . 0.0 107.904 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.644 ' HB3' HD23 ' A' ' 61' ' ' LEU . 46.2 mtpt -58.25 -43.06 87.66 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.613 -1.305 . . . . 0.0 111.381 -177.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -60.13 -46.61 89.06 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.267 -1.521 . . . . 0.0 110.719 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -71.16 -40.74 71.11 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.77 -1.206 . . . . 0.0 108.845 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.718 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.9 tm? -42.34 -48.54 5.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.623 -0.673 . . . . 0.0 109.514 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -71.21 -36.59 71.94 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.928 -1.108 . . . . 0.0 112.18 -178.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.47 -40.21 95.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.324 -1.485 . . . . 0.0 110.932 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.58 -54.33 14.58 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.304 -0.872 . . . . 0.0 111.91 -178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.246 HD22 ' CD2' ' B' ' 4' ' ' LEU . 15.2 mt -72.03 -39.0 69.43 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.04 -1.037 . . . . 0.0 113.409 -176.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.66 -28.42 67.25 Favored 'General case' 0 C--N 1.284 -2.263 0 O-C-N 120.664 -1.272 . . . . 0.0 108.501 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 m -79.16 -43.83 23.17 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.118 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.758 ' CD ' ' HB3' ' B' ' 4' ' ' LEU . 85.3 tt0 -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.179 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.12 32.35 1.17 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.181 -0.95 . . . . 0.0 108.939 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.3 m -59.66 -39.99 86.27 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.315 -0.866 . . . . 0.0 110.675 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.453 ' HB2' ' H ' ' A' ' 92' ' ' ASN . 83.3 p -60.45 -32.7 71.64 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.251 -0.906 . . . . 0.0 109.07 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 56.4 m-85 -65.15 -39.03 92.42 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.12 -10.02 36.84 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 44.6 t0 -50.68 -32.47 19.39 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.2 p -163.69 93.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.266 -0.897 . . . . 0.0 110.004 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.8 124.63 24.49 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.136 -0.977 . . . . 0.0 109.833 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 84' ' ' ALA . 71.0 mmtt -81.24 -69.82 0.58 Allowed 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -97.85 102.9 14.77 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.05 -1.031 . . . . 0.0 109.601 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -13.76 60.62 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -70.2 -39.87 74.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.38 -55.87 12.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.234 -0.916 . . . . 0.0 108.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.69 HG23 ' CB ' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -57.11 -35.05 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.527 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 58.8 t0 -59.79 -40.14 87.29 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.223 -0.923 . . . . 0.0 109.196 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.81 -40.54 93.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.487 -0.758 . . . . 0.0 108.992 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.56 -41.01 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.515 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.03 -35.31 74.81 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.85 -1.157 . . . . 0.0 109.668 179.654 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 61.7 mttp -62.49 -40.76 97.71 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.246 -0.909 . . . . 0.0 111.937 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -70.4 -39.9 74.23 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.523 -1.36 . . . . 0.0 110.044 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 30' ' ' LYS . 24.8 mt -68.5 -29.65 68.31 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.453 -0.779 . . . . 0.0 111.683 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -91.49 -33.46 15.19 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.088 -1.007 . . . . 0.0 110.312 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -28.43 64.89 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.35 -0.844 . . . . 0.0 108.959 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -157.91 51.01 0.43 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.695 -0.628 . . . . 0.0 109.557 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -49.96 -28.24 11.8 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.09 0.1 33.42 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.452 -1.028 . . . . 0.0 109.005 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.92 -151.5 0.04 OUTLIER Glycine 0 N--CA 1.477 1.389 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -151.51 147.1 26.41 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.475 -1.014 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 28' ' ' LEU . 4.2 m -129.72 147.71 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 45.2 p-10 -123.16 -162.03 1.0 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 109.323 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.657 ' CE1' ' ND2' ' B' ' 86' ' ' ASN . 1.1 p90 -60.03 -49.42 77.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 111.187 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.595 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 6.4 tm0? -67.27 -38.09 84.52 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.696 -1.253 . . . . 0.0 109.481 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 13.9 tp10 -72.85 -40.03 66.05 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -60.44 -35.92 76.97 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.725 HG11 ' HB2' ' B' ' 79' ' ' ALA . 40.3 t -74.81 -38.12 43.57 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 O-C-N 121.371 -0.831 . . . . 0.0 111.705 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.66 -45.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.585 -1.322 . . . . 0.0 111.4 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -70.38 -38.45 74.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.821 -1.174 . . . . 0.0 110.516 179.433 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 74' ' ' PHE . 47.2 t -71.8 -35.37 54.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.025 -1.047 . . . . 0.0 110.099 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.765 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.62 -39.26 93.91 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.562 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -68.13 -22.79 64.85 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 122.285 1.041 . . . . 0.0 108.735 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -76.03 -40.08 54.27 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.689 -1.257 . . . . 0.0 108.552 179.103 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.2 m -68.61 -40.98 80.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.979 -1.076 . . . . 0.0 110.985 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 80' ' ' ALA . 9.8 p -59.65 -38.43 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.69 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -58.14 -21.78 48.23 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.624 ' C ' ' H ' ' A' ' 87' ' ' ASN . 3.3 m -140.92 64.7 1.42 Allowed 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.638 ' ND2' ' CE1' ' B' ' 71' ' ' PHE . 21.0 m120 -65.68 38.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.624 ' H ' ' C ' ' A' ' 85' ' ' CYS . 10.6 m-20 -56.06 122.15 11.0 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.745 -0.597 . . . . 0.0 110.25 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -110.48 -57.13 2.26 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -88.07 -10.45 50.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.571 -0.706 . . . . 0.0 110.185 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -104.29 32.43 4.03 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.302 -0.874 . . . . 0.0 109.615 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -92.27 116.69 29.18 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.453 ' H ' ' HB2' ' A' ' 43' ' ' SER . 25.5 m120 -81.1 148.28 29.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.17 -0.956 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 117.896 -1.05 . . . . 0.0 109.284 -179.484 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.727 0 N-CA-C 119.014 2.366 . . . . 0.0 119.014 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.611 ' CB ' ' OE2' ' A' ' 40' ' ' GLU . 65.6 m -91.74 167.03 12.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.202 -1.175 . . . . 0.0 109.397 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' HB3' HG13 ' A' ' 14' ' ' VAL . 98.9 mt-10 -60.04 -41.47 92.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.097 -1.002 . . . . 0.0 109.744 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.246 ' CD2' HD22 ' A' ' 37' ' ' LEU . 4.3 tp -77.84 -53.88 6.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 111.204 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.71 -39.48 88.76 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.976 -1.078 . . . . 0.0 109.636 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -61.23 -40.08 92.68 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.14 -0.975 . . . . 0.0 110.459 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.483 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.71 -48.9 79.73 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.083 -1.011 . . . . 0.0 111.213 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 81.9 mmm -60.59 -38.15 83.72 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.887 -1.133 . . . . 0.0 110.639 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.43 -39.89 89.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.385 -1.447 . . . . 0.0 108.336 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 86.2 m -65.23 -35.71 81.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.77 -0.581 . . . . 0.0 109.675 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.723 HD11 HD11 ' A' ' 11' ' ' LEU . 7.3 mp -58.54 -43.76 89.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.666 -0.646 . . . . 0.0 109.893 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.78 -41.8 92.0 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 O-C-N 121.045 -1.034 . . . . 0.0 109.518 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -60.53 -41.28 94.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.364 -0.835 . . . . 0.0 112.069 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' A' ' 3' ' ' GLU . 34.5 t -70.96 -40.3 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.464 -1.398 . . . . 0.0 111.651 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 3.3 m-30 -58.93 -36.32 74.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.446 -1.409 . . . . 0.0 107.457 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.576 ' O ' ' N ' ' B' ' 20' ' ' GLY . 59.0 t-80 -59.83 -33.85 72.31 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.2 66.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.038 -1.039 . . . . 0.0 109.566 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -71.96 -40.2 68.81 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.383 -1.448 . . . . 0.0 109.966 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.589 ' C ' ' H ' ' B' ' 21' ' ' LYS . 51.0 m -79.99 -11.18 59.8 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.138 -0.977 . . . . 0.0 110.387 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -59.36 11.05 0.03 OUTLIER Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.666 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.589 ' H ' ' C ' ' B' ' 19' ' ' SER . 86.7 tttt -55.36 -14.8 2.05 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.998 -1.295 . . . . 0.0 107.923 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.467 ' N ' ' C ' ' B' ' 20' ' ' GLY . 54.0 tt0 80.55 -16.69 0.63 Allowed 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.777 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.28 -80.88 0.47 Allowed Glycine 0 N--CA 1.485 1.937 0 N-CA-C 107.845 -2.102 . . . . 0.0 107.845 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -100.11 106.02 17.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.396 -1.061 . . . . 0.0 108.95 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.56 -30.19 71.13 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.142 -0.974 . . . . 0.0 109.789 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -52.46 175.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.463 ' O ' HD22 ' B' ' 28' ' ' LEU . 26.6 tptt -55.34 -81.03 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 118.438 -1.305 . . . . 0.0 109.589 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.576 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.1 OUTLIER -172.25 158.66 4.53 Favored 'General case' 0 N--CA 1.512 2.662 0 O-C-N 121.269 -0.894 . . . . 0.0 109.396 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -49.22 153.73 0.94 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.438 -1.414 . . . . 0.0 107.93 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.661 ' HB3' HD23 ' B' ' 61' ' ' LEU . 47.0 mtpt -59.53 -42.57 92.59 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.263 . . . . 0.0 110.834 -177.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -59.96 -47.37 86.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.156 -1.59 . . . . 0.0 110.742 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.7 tp10 -70.64 -40.54 73.01 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.706 -1.246 . . . . 0.0 108.716 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.703 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.9 tm? -42.55 -49.1 5.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.599 -0.688 . . . . 0.0 109.628 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.435 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 0.5 OUTLIER -70.43 -36.91 74.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.899 -1.126 . . . . 0.0 112.116 -178.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.65 -40.2 96.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.332 -1.48 . . . . 0.0 110.825 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.54 -53.21 20.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.385 -0.822 . . . . 0.0 111.784 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 1.176 HD22 ' CD2' ' A' ' 4' ' ' LEU . 15.4 mt -72.32 -39.87 67.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.939 -1.1 . . . . 0.0 113.292 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -59.17 -28.25 66.43 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 120.816 -1.177 . . . . 0.0 108.53 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -79.39 -42.82 24.66 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.191 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.757 ' CD ' ' HB3' ' A' ' 4' ' ' LEU . 83.6 tt0 -71.36 -36.01 71.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.381 -0.824 . . . . 0.0 109.055 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 mt -90.74 32.97 0.94 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m -60.16 -39.8 87.65 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.284 -0.885 . . . . 0.0 110.486 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.468 ' HB2' ' H ' ' B' ' 92' ' ' ASN . 94.1 p -60.55 -32.8 71.85 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.185 -0.947 . . . . 0.0 108.981 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.515 ' O ' ' ND2' ' B' ' 87' ' ' ASN . 56.2 m-85 -64.58 -39.42 93.69 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.89 -10.12 35.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 44.9 t0 -50.52 -32.3 17.93 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.496 ' O ' HG13 ' B' ' 47' ' ' VAL . 5.0 p -164.05 92.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.35 -0.844 . . . . 0.0 110.197 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.18 124.16 23.44 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 121.087 -1.008 . . . . 0.0 109.685 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.55 ' N ' ' O ' ' B' ' 84' ' ' ALA . 68.9 mmtt -81.26 -69.66 0.59 Allowed 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -97.78 103.05 14.95 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.046 -1.034 . . . . 0.0 109.66 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.16 -14.46 60.96 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -70.51 -38.65 74.32 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 -55.22 11.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.115 -0.99 . . . . 0.0 108.9 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.7 HG23 ' CB ' ' B' ' 84' ' ' ALA . 0.9 OUTLIER -56.84 -35.16 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' B' ' 59' ' ' LYS . 57.9 t0 -60.14 -39.81 87.65 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.357 -0.839 . . . . 0.0 108.997 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.42 -41.3 93.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.434 -0.791 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.17 -40.85 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.611 -0.681 . . . . 0.0 109.785 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.13 -35.76 75.99 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.85 -1.156 . . . . 0.0 109.805 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.436 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 62.2 mttp -62.63 -40.36 96.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.021 -1.05 . . . . 0.0 112.082 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.16 -40.1 74.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.523 -1.361 . . . . 0.0 109.958 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' B' ' 30' ' ' LYS . 22.9 mt -68.26 -29.23 67.99 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.505 -0.747 . . . . 0.0 111.637 -178.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.26 -32.24 15.11 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.05 -1.031 . . . . 0.0 110.426 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.98 -29.02 64.89 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -157.4 51.31 0.46 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.71 -0.619 . . . . 0.0 109.347 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.0 -27.48 10.36 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -81.18 2.01 29.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.334 -1.098 . . . . 0.0 108.836 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.56 -152.02 0.08 OUTLIER Glycine 0 N--CA 1.478 1.453 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -151.6 146.63 25.98 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.974 . . . . 0.0 110.77 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.576 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.9 m -128.8 148.0 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.407 ' HA ' ' H ' ' B' ' 27' ' ' LYS . 48.8 p-10 -122.91 -161.38 0.95 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.638 ' CE1' ' ND2' ' A' ' 86' ' ' ASN . 1.1 p90 -60.22 -50.11 74.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.371 -0.831 . . . . 0.0 111.208 -177.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 6.8 tm0? -67.19 -38.07 84.75 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.818 -1.176 . . . . 0.0 109.567 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -72.64 -40.08 66.67 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -61.02 -33.43 73.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' ' 79' ' ' ALA . 38.3 t -77.65 -37.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 O-C-N 121.348 -0.845 . . . . 0.0 111.301 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -71.45 -42.98 73.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 120.728 -1.232 . . . . 0.0 111.111 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 77' ' ' LEU . 0.7 OUTLIER -72.73 -38.96 67.26 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.832 -1.168 . . . . 0.0 110.223 179.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 74' ' ' PHE . 46.3 t -71.09 -36.45 63.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.007 -1.058 . . . . 0.0 109.963 -178.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.725 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.73 -38.89 92.28 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.562 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -68.09 -22.15 64.93 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.328 1.061 . . . . 0.0 108.665 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.41 HD13 ' O ' ' B' ' 81' ' ' LEU . 0.2 OUTLIER -77.34 -39.97 45.76 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.736 -1.227 . . . . 0.0 108.574 179.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -68.59 -40.16 80.6 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.045 -1.034 . . . . 0.0 110.691 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.562 HG12 ' O ' ' B' ' 80' ' ' ALA . 9.2 p -60.05 -38.01 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.7 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -59.12 -21.68 59.67 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.635 ' C ' ' H ' ' B' ' 87' ' ' ASN . 3.4 m -140.15 63.36 1.48 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.657 ' ND2' ' CE1' ' A' ' 71' ' ' PHE . 20.6 m120 -64.97 38.02 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.635 ' H ' ' C ' ' B' ' 85' ' ' CYS . 11.2 m-20 -55.64 122.58 11.67 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.59 -0.694 . . . . 0.0 110.309 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -111.96 -55.93 2.45 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -88.6 -10.57 48.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.634 -0.666 . . . . 0.0 109.918 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -104.05 31.49 4.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.339 -0.85 . . . . 0.0 109.838 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -91.43 116.16 28.62 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.468 ' H ' ' HB2' ' B' ' 43' ' ' SER . 24.3 m120 -80.12 148.35 31.0 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.685 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.032 -179.764 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -80.1 169.36 17.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -1.16 . . . . 0.0 109.702 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -41.37 91.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 0.0 111.078 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' CD2' HG11 ' B' ' 14' ' ' VAL . 63.4 mt -72.78 -51.46 18.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.606 -1.309 . . . . 0.0 109.985 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.09 -40.25 88.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.006 -1.059 . . . . 0.0 110.07 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -61.24 -40.0 92.38 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 0.0 110.605 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.461 ' O ' HD13 ' A' ' 11' ' ' LEU . . . -60.34 -41.0 92.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 0.0 110.501 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 68.6 mtp -60.05 -38.54 83.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.172 -0.955 . . . . 0.0 110.214 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 -40.01 88.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.131 -1.605 . . . . 0.0 108.264 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -62.27 -39.14 91.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.444 -0.785 . . . . 0.0 109.014 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 7' ' ' ALA . 9.0 mp -56.81 -39.87 74.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.534 -0.729 . . . . 0.0 109.426 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 HD13 ' CE2' ' A' ' 15' ' ' PHE . 35.6 mm -59.96 -46.12 94.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.909 -1.119 . . . . 0.0 110.002 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.03 -40.03 87.94 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.0 -1.063 . . . . 0.0 110.784 -179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' B' ' 4' ' ' LEU . 44.2 t -62.98 -39.93 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 120.775 -1.203 . . . . 0.0 110.857 -178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.542 ' O ' ' N ' ' A' ' 19' ' ' SER . 2.8 m-30 -51.9 -37.6 53.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.434 -1.416 . . . . 0.0 107.514 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' GLY . 71.9 t60 -56.69 -38.92 72.94 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.75 -57.06 9.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.77 -1.206 . . . . 0.0 109.083 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -87.27 -45.96 10.14 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.07 -1.018 . . . . 0.0 110.595 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 15' ' ' PHE . 52.8 p -77.38 -38.85 49.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.069 -1.019 . . . . 0.0 111.537 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -50.96 -37.33 35.87 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -15.69 63.72 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.217 -1.166 . . . . 0.0 108.163 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' SER . 99.1 mt-10 -104.14 134.03 48.08 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.145 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.11 -6.98 6.15 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 22' ' ' GLU . 55.9 t0 -93.66 108.15 19.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.322 -1.105 . . . . 0.0 108.937 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -64.45 -39.67 94.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.374 -0.829 . . . . 0.0 109.659 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 27' ' ' LYS . 48.9 m-85 -51.34 169.99 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 26' ' ' TYR . 43.7 tptt -52.45 -93.92 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.586 -1.321 . . . . 0.0 108.855 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 179.05 -177.21 0.27 Allowed 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.763 -1.211 . . . . 0.0 110.425 179.071 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.16 146.56 14.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.095 -1.003 . . . . 0.0 110.264 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.718 ' O ' HD23 ' A' ' 61' ' ' LEU . 39.9 mtpt -59.97 -44.35 94.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.405 -0.81 . . . . 0.0 111.975 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -59.88 -40.08 87.47 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.105 -1.622 . . . . 0.0 110.793 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -79.41 -27.68 41.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.027 -1.045 . . . . 0.0 109.819 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.719 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.7 tm? -59.69 -48.82 80.16 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.971 -1.081 . . . . 0.0 109.18 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HB2' HD22 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -65.77 -38.83 90.14 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.58 -1.325 . . . . 0.0 109.922 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.326 -1.484 . . . . 0.0 110.572 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.46 -57.23 4.62 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.862 -1.149 . . . . 0.0 112.463 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD13 ' CG2' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -71.88 -32.01 67.01 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.487 -1.383 . . . . 0.0 112.07 -177.411 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -60.05 -29.85 68.8 Favored 'General case' 0 C--N 1.281 -2.389 0 O-C-N 120.923 -1.111 . . . . 0.0 108.525 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -70.82 -40.07 72.69 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.149 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' OE1' ' HB2' ' B' ' 4' ' ' LEU . 3.8 pt-20 -85.3 -12.61 51.95 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.829 -1.17 . . . . 0.0 109.201 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.0 mt -100.88 17.35 22.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.0 m -60.11 -40.02 88.24 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.346 -0.846 . . . . 0.0 109.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 69.0 m -61.93 -39.96 93.87 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 28.0 m-85 -61.15 -39.99 92.16 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.14 -7.93 27.09 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 43' ' ' SER . 46.1 t0 -55.54 -38.6 69.49 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.084 -1.01 . . . . 0.0 109.22 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.618 HG11 HD22 ' A' ' 87' ' ' ASN . 3.9 p -145.84 87.45 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.877 -1.14 . . . . 0.0 110.182 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -69.31 120.56 15.32 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.318 -0.864 . . . . 0.0 109.766 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.2 mmmp? -80.1 -64.35 1.21 Allowed 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -99.98 99.55 10.32 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -18.82 61.81 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.429 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -70.95 -38.56 72.83 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.569 -0.707 . . . . 0.0 109.456 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.21 54.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.226 -0.921 . . . . 0.0 109.269 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -60.98 -40.17 92.45 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.836 -0.54 . . . . 0.0 110.671 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -66.48 -39.5 88.8 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.2 -0.938 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.656 ' O ' HD12 ' A' ' 61' ' ' LEU . 81.6 mt -60.01 -49.35 84.32 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 O-C-N 121.405 -0.809 . . . . 0.0 108.986 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 ttm -60.05 -28.0 67.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.891 -0.506 . . . . 0.0 109.682 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.82 -38.5 90.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.281 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.82 -40.1 79.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.838 -1.164 . . . . 0.0 111.506 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 30' ' ' LYS . 2.2 mp -78.67 -21.63 47.98 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.55 -1.343 . . . . 0.0 110.015 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -86.96 -29.72 21.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.632 -1.292 . . . . 0.0 109.39 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -82.42 -28.64 31.24 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ASP . 19.4 m120 -143.08 39.47 1.46 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.379 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -46.86 -18.47 0.4 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ASN . 96.0 m-20 -89.78 0.85 56.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.186 -1.184 . . . . 0.0 109.633 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.13 -157.48 2.53 Favored Glycine 0 N--CA 1.477 1.387 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -145.56 152.54 39.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.718 -0.872 . . . . 0.0 109.736 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 28' ' ' LEU . 3.8 m -136.97 150.74 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.339 -0.85 . . . . 0.0 109.078 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 5.5 m-20 -120.73 -158.25 0.75 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.295 -0.878 . . . . 0.0 110.589 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.662 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.76 84.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.718 -0.614 . . . . 0.0 111.859 -177.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.662 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.0 -27.87 65.04 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.6 -1.312 . . . . 0.0 109.551 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 48.9 mp0 -78.73 -40.01 34.72 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.534 -0.729 . . . . 0.0 109.376 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.495 ' CD2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -66.49 -39.28 88.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' B' ' 79' ' ' ALA . 55.7 t -74.89 -42.69 46.53 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 O-C-N 121.664 -0.648 . . . . 0.0 111.654 -177.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' B' ' 76' ' ' VAL . 54.4 t -70.22 -40.58 78.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.115 0 O-C-N 121.288 -0.883 . . . . 0.0 110.542 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt -70.77 -40.29 72.73 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 121.793 -0.567 . . . . 0.0 110.536 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.5 ' CG2' HD13 ' A' ' 37' ' ' LEU . 59.6 t -69.95 -40.0 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.212 -0.93 . . . . 0.0 109.409 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -62.21 -39.72 93.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.899 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.53 -39.6 88.47 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.593 0.711 . . . . 0.0 109.169 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 81' ' ' LEU . 5.5 tt -65.14 -40.31 94.25 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 120.611 -1.305 . . . . 0.0 109.707 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.548 ' O ' ' N ' ' A' ' 86' ' ' ASN . 94.6 m -62.42 -39.99 95.08 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.014 -1.053 . . . . 0.0 110.294 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.899 HG12 ' O ' ' A' ' 80' ' ' ALA . 2.8 p -50.37 -32.57 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.848 -1.157 . . . . 0.0 108.112 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.0 -22.62 61.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.982 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.595 ' C ' ' H ' ' A' ' 87' ' ' ASN . 87.1 m -131.04 21.18 4.9 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.222 -0.924 . . . . 0.0 109.564 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 82' ' ' THR . 48.8 t30 -60.09 5.93 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.988 -1.07 . . . . 0.0 109.698 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.618 HD22 HG11 ' A' ' 47' ' ' VAL . 59.3 t30 -46.22 107.07 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.3 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' C ' ' H ' ' A' ' 90' ' ' TRP . 58.1 t80 -59.96 -40.07 87.8 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.668 ' O ' ' N ' ' A' ' 91' ' ' GLU . 92.1 m-85 -73.38 20.41 0.09 Allowed 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.538 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -57.22 40.24 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.748 -0.595 . . . . 0.0 111.744 -179.044 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.668 ' N ' ' O ' ' A' ' 89' ' ' PHE . 18.4 pt-20 -76.22 133.8 40.03 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.592 -1.317 . . . . 0.0 108.922 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -80.45 159.98 25.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.547 -179.878 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.882 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -80.64 169.68 17.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.182 -1.187 . . . . 0.0 109.661 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.09 -41.17 91.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.833 . . . . 0.0 111.05 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.569 ' CD2' HG11 ' A' ' 14' ' ' VAL . 61.5 mt -73.16 -51.16 18.9 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.664 -1.273 . . . . 0.0 109.96 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.02 -40.59 89.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 109.995 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -61.14 -39.97 92.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.85 . . . . 0.0 110.561 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.465 ' O ' HD13 ' B' ' 11' ' ' LEU . . . -60.71 -40.74 93.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.111 -0.993 . . . . 0.0 110.499 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 67.4 mtp -60.03 -38.59 83.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.071 -1.018 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.0 87.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.202 -1.561 . . . . 0.0 108.329 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -62.04 -39.52 92.63 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.417 -0.802 . . . . 0.0 109.051 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 7' ' ' ALA . 9.1 mp -56.65 -39.88 74.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.611 -0.681 . . . . 0.0 109.476 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.435 HD13 ' CE2' ' B' ' 15' ' ' PHE . 37.5 mm -59.88 -46.18 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.94 -1.1 . . . . 0.0 110.003 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -59.98 -39.99 87.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.008 . . . . 0.0 110.882 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.56 HG11 ' CD2' ' A' ' 4' ' ' LEU . 39.2 t -63.2 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.8 -1.188 . . . . 0.0 110.815 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.546 ' O ' ' N ' ' B' ' 19' ' ' SER . 2.7 m-30 -51.85 -37.56 52.48 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.45 -1.406 . . . . 0.0 107.535 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' B' ' 20' ' ' GLY . 71.9 t60 -56.72 -38.69 72.69 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.8 -57.08 9.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.802 -1.186 . . . . 0.0 109.067 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -87.51 -45.77 10.19 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.998 -1.064 . . . . 0.0 110.633 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 15' ' ' PHE . 53.6 p -77.29 -39.01 49.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.089 -1.007 . . . . 0.0 111.534 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -50.83 -37.36 35.1 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -15.66 63.71 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.124 -1.221 . . . . 0.0 108.227 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 19' ' ' SER . 99.1 mt-10 -104.28 134.14 48.0 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.054 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.14 -7.06 6.32 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 22' ' ' GLU . 56.1 t0 -93.79 108.18 19.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -1.051 . . . . 0.0 108.893 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -64.5 -39.67 94.21 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.372 -0.83 . . . . 0.0 109.62 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' B' ' 27' ' ' LYS . 48.6 m-85 -51.38 169.95 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' B' ' 26' ' ' TYR . 44.0 tptt -52.35 -93.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.592 -1.318 . . . . 0.0 108.921 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.498 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 178.5 -177.16 0.24 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.754 -1.216 . . . . 0.0 110.33 178.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 10.9 t -54.04 146.46 14.57 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.032 -1.042 . . . . 0.0 110.321 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.72 ' O ' HD23 ' B' ' 61' ' ' LEU . 38.5 mtpt -60.04 -44.05 94.91 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 121.435 -0.79 . . . . 0.0 112.037 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -60.08 -39.92 87.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.109 -1.619 . . . . 0.0 110.778 -177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -79.63 -27.8 40.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.986 -1.071 . . . . 0.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.722 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.7 tm? -59.54 -49.12 79.01 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 120.874 -1.141 . . . . 0.0 109.138 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.572 ' HB2' HD22 ' B' ' 61' ' ' LEU . 0.6 OUTLIER -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.512 -1.368 . . . . 0.0 109.968 -179.547 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.93 -40.11 87.77 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.263 -1.523 . . . . 0.0 110.604 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.61 -57.05 4.74 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.888 -1.132 . . . . 0.0 112.459 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.511 HD13 ' CG2' ' B' ' 78' ' ' VAL . 0.9 OUTLIER -71.7 -32.19 67.55 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.512 -1.367 . . . . 0.0 112.15 -177.338 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.02 -30.02 68.89 Favored 'General case' 0 C--N 1.281 -2.375 0 O-C-N 121.03 -1.044 . . . . 0.0 108.505 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.6 m -70.78 -39.99 72.86 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.3 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.522 ' OE1' ' HB2' ' A' ' 4' ' ' LEU . 3.9 pt-20 -85.17 -12.84 51.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.891 -1.13 . . . . 0.0 109.129 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -100.77 17.46 21.96 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -60.05 -40.24 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.338 -0.852 . . . . 0.0 109.899 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 67.8 m -61.83 -39.97 93.66 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.507 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 27.6 m-85 -61.29 -39.98 92.43 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.23 -7.75 26.31 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 43' ' ' SER . 46.2 t0 -55.57 -38.49 69.41 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.084 -1.01 . . . . 0.0 109.217 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.637 HG11 HD22 ' B' ' 87' ' ' ASN . 4.4 p -146.06 87.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 120.987 -1.071 . . . . 0.0 110.136 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.61 120.5 15.49 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 121.254 -0.904 . . . . 0.0 109.883 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.3 mmmp? -79.96 -64.35 1.21 Allowed 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -100.1 99.55 10.29 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.03 -18.82 61.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.532 -0.73 . . . . 0.0 109.376 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.2 -38.44 72.06 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.547 -0.721 . . . . 0.0 109.45 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.47 -51.41 51.61 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 109.246 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -40.3 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 50.3 t0 -60.91 -40.01 91.51 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.083 0.468 . . . . 0.0 110.758 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -66.84 -39.4 87.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.136 -0.977 . . . . 0.0 109.396 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.653 ' O ' HD12 ' B' ' 61' ' ' LEU . 82.4 mt -59.94 -49.15 85.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 O-C-N 121.335 -0.853 . . . . 0.0 109.04 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttm -59.92 -28.34 67.52 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.822 -0.548 . . . . 0.0 109.698 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.31 -39.17 92.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.176 -0.952 . . . . 0.0 110.249 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 98.8 mt-10 -68.66 -40.06 80.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.832 -1.167 . . . . 0.0 111.515 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.72 HD23 ' O ' ' B' ' 30' ' ' LYS . 2.2 mp -78.54 -21.86 48.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.421 -1.424 . . . . 0.0 110.033 -179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -86.81 -29.83 21.98 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.657 -1.277 . . . . 0.0 109.383 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -82.41 -28.46 31.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.565 -0.709 . . . . 0.0 109.137 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' B' ' 66' ' ' ASP . 17.9 m120 -143.05 39.07 1.45 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.532 -0.73 . . . . 0.0 109.504 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -46.58 -18.8 0.39 Allowed Glycine 0 N--CA 1.492 2.393 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' B' ' 64' ' ' ASN . 96.1 m-20 -89.58 0.92 56.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.205 -1.174 . . . . 0.0 109.632 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.18 -157.49 2.57 Favored Glycine 0 N--CA 1.478 1.434 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -145.62 152.44 39.67 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.669 -0.9 . . . . 0.0 109.799 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.498 HG22 ' O ' ' B' ' 28' ' ' LEU . 4.1 m -136.88 150.56 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.443 -0.785 . . . . 0.0 109.103 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.492 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 5.4 m-20 -120.56 -158.27 0.74 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.3 -0.875 . . . . 0.0 110.624 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 0.3 OUTLIER -60.02 -47.81 84.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.671 -0.643 . . . . 0.0 111.703 -177.587 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.655 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.03 -27.91 65.05 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.566 -1.334 . . . . 0.0 109.435 -179.438 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 73' ' ' GLU . 48.4 mp0 -78.46 -40.04 36.76 Favored 'General case' 0 C--N 1.294 -1.848 0 O-C-N 121.428 -0.795 . . . . 0.0 109.554 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.492 ' CD2' HG23 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.63 -39.06 88.12 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 79' ' ' ALA . 54.5 t -74.94 -42.8 46.18 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 O-C-N 121.714 -0.617 . . . . 0.0 111.508 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' A' ' 76' ' ' VAL . 54.5 t -70.01 -40.37 78.46 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 O-C-N 121.252 -0.905 . . . . 0.0 110.602 -178.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tt -71.3 -40.08 71.07 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.656 -0.652 . . . . 0.0 110.469 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.511 ' CG2' HD13 ' B' ' 37' ' ' LEU . 53.7 t -70.09 -39.88 77.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.179 -0.951 . . . . 0.0 109.333 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.569 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -62.19 -39.86 94.13 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.865 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.49 -39.84 89.15 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.578 0.704 . . . . 0.0 109.233 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.628 ' O ' HD23 ' B' ' 81' ' ' LEU . 5.4 tt -64.75 -40.98 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.586 -1.321 . . . . 0.0 109.767 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.56 ' O ' ' N ' ' B' ' 86' ' ' ASN . 95.0 m -61.81 -39.99 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 110.308 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.865 HG12 ' O ' ' B' ' 80' ' ' ALA . 2.4 p -50.39 -32.55 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 120.808 -1.182 . . . . 0.0 108.084 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -72.19 -22.65 61.24 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.969 179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.583 ' C ' ' H ' ' B' ' 87' ' ' ASN . 83.4 m -131.02 21.26 4.91 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -178.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' B' ' 82' ' ' THR . 47.8 t30 -60.19 5.84 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.016 -1.053 . . . . 0.0 109.653 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.637 HD22 HG11 ' B' ' 47' ' ' VAL . 59.2 t30 -46.24 107.02 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.0 110.393 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.507 ' C ' ' H ' ' B' ' 90' ' ' TRP . 56.5 t80 -59.96 -40.08 87.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.652 ' O ' ' N ' ' B' ' 91' ' ' GLU . 92.2 m-85 -73.39 20.54 0.09 Allowed 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.538 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 0.2 OUTLIER -57.37 39.71 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.633 -0.667 . . . . 0.0 111.67 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.652 ' N ' ' O ' ' B' ' 89' ' ' PHE . 18.5 pt-20 -75.4 134.42 40.93 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.69 -1.256 . . . . 0.0 108.842 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -80.48 160.0 25.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.139 -0.976 . . . . 0.0 109.436 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.438 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.623 2.609 . . . . 0.0 119.623 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -86.9 52.48 2.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.306 -1.114 . . . . 0.0 109.373 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' CG ' HG22 ' B' ' 14' ' ' VAL . 53.2 tp10 -63.32 -39.99 96.09 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.504 -0.748 . . . . 0.0 110.289 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -38.77 92.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 110.948 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.539 -1.351 . . . . 0.0 109.48 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -62.77 -40.11 96.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.276 -0.89 . . . . 0.0 111.116 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' B' ' 11' ' ' LEU . . . -68.91 -46.43 68.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.009 -1.057 . . . . 0.0 111.358 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.1 ttt -61.35 -38.44 86.96 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.954 -1.091 . . . . 0.0 109.982 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.04 -39.91 87.56 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.384 -1.447 . . . . 0.0 107.791 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -63.17 -36.5 83.83 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 8.6 mp -59.84 -40.03 87.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.255 -0.903 . . . . 0.0 109.494 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.12 -42.26 89.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 120.867 -1.146 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.89 -40.01 91.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.164 -0.96 . . . . 0.0 111.089 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG22 ' CG ' ' B' ' 3' ' ' GLU . 16.9 t -69.43 -36.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.903 -1.123 . . . . 0.0 110.67 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.9 m-30 -52.08 -39.95 60.49 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.567 ' O ' ' N ' ' A' ' 20' ' ' GLY . 68.0 t60 -61.97 -31.64 72.01 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.427 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.74 -57.57 9.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.676 -1.265 . . . . 0.0 109.236 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.02 -43.23 24.71 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.953 -1.092 . . . . 0.0 110.582 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 p -75.28 -20.19 59.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.912 -1.118 . . . . 0.0 111.019 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -57.74 -35.83 76.29 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -71.02 -8.44 53.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.957 -1.319 . . . . 0.0 109.475 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -101.65 137.82 39.46 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.09 -42.87 82.84 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.22 139.97 30.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -1.106 . . . . 0.0 108.788 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.57 -9.0 58.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.232 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -55.74 153.99 7.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 108.987 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.593 ' HB3' HG23 ' A' ' 69' ' ' VAL . 48.1 tptt -49.83 -93.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.121 -0.987 . . . . 0.0 108.949 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 177.46 -177.14 0.18 Allowed 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.023 -1.048 . . . . 0.0 110.455 179.288 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -54.53 145.03 19.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.45 -1.406 . . . . 0.0 110.858 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -55.66 -41.34 73.5 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.365 -0.834 . . . . 0.0 111.043 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' GLY . 47.2 tptt -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.141 -1.599 . . . . 0.0 110.984 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -73.84 -26.04 60.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.841 -1.162 . . . . 0.0 109.37 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -59.95 -40.04 87.65 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.941 -1.1 . . . . 0.0 109.454 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.945 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -76.07 -48.38 21.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.044 -1.035 . . . . 0.0 111.894 -178.48 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.55 -38.19 86.55 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 120.144 -1.598 . . . . 0.0 109.269 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.9 tp -64.32 -55.69 19.56 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.505 -0.747 . . . . 0.0 111.265 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.03 -39.97 75.45 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.614 -1.304 . . . . 0.0 111.924 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 2.9 pp0? -58.32 -28.3 64.93 Favored 'General case' 0 C--N 1.287 -2.12 0 O-C-N 120.843 -1.161 . . . . 0.0 108.296 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.29 -40.02 52.68 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.83 0.824 . . . . 0.0 108.994 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -79.82 -9.75 59.7 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.411 0.624 . . . . 0.0 109.326 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -113.66 28.8 8.48 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 t -60.05 -40.38 89.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.582 -0.699 . . . . 0.0 111.193 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -66.37 -28.25 68.5 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.253 -0.904 . . . . 0.0 108.775 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -68.84 -39.99 79.67 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.31 -7.73 4.78 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 43.5 t0 -49.21 -32.09 9.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.25 -0.906 . . . . 0.0 108.824 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.79 93.12 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.981 -1.074 . . . . 0.0 110.113 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.33 108.74 3.33 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.401 -0.812 . . . . 0.0 108.943 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 84' ' ' ALA . 66.1 mmtt -80.13 -69.51 0.59 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.695 -0.628 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -99.96 100.78 11.72 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.165 -0.96 . . . . 0.0 110.222 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.37 -24.75 63.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.318 -0.864 . . . . 0.0 109.183 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -63.7 -40.07 95.88 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.474 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.71 -51.65 67.53 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.507 ' O ' ' SD ' ' A' ' 58' ' ' MET . 51.2 t -51.3 -37.51 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -62.13 -40.02 94.51 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.356 0.598 . . . . 0.0 109.821 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -63.74 -42.21 97.91 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.911 0.862 . . . . 0.0 109.466 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.04 -43.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.705 -0.622 . . . . 0.0 110.74 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.79 -29.49 69.47 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.11 -46.65 88.91 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 110.235 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.67 -40.18 96.25 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.016 -1.052 . . . . 0.0 111.153 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' A' ' 61' ' ' LEU . 10.5 mt -65.63 -24.83 67.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.919 -1.113 . . . . 0.0 108.032 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.81 -29.17 32.77 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.03 -40.1 88.16 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.18 76.99 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -51.18 -25.83 11.8 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 108.401 -1.88 . . . . 0.0 108.401 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 67' ' ' GLY . 35.0 p-10 -89.42 0.94 56.48 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.658 -0.907 . . . . 0.0 109.094 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 66' ' ' ASP . . . -61.98 -150.72 0.02 OUTLIER Glycine 0 N--CA 1.479 1.525 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.1 158.86 44.08 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.166 -1.196 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.658 HG21 HD12 ' A' ' 33' ' ' LEU . 3.1 m -143.39 158.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 29.2 t0 -128.55 -157.46 0.82 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.442 -0.786 . . . . 0.0 109.985 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.1 p90 -60.0 -44.74 94.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.428 -0.795 . . . . 0.0 112.853 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.647 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 64.1 tt0 -78.01 -26.26 48.41 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.522 -1.362 . . . . 0.0 109.565 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 45.0 mt-10 -80.31 -40.0 27.63 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 118.916 -1.113 . . . . 0.0 110.346 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -77.4 -35.83 53.91 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.907 -1.121 . . . . 0.0 108.542 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 71' ' ' PHE . 70.1 t -71.02 -40.67 76.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.958 0 C-N-CA 119.481 -0.888 . . . . 0.0 110.147 -178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.6 t -70.24 -39.93 77.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 109.88 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.8 -37.82 82.5 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.707 -0.62 . . . . 0.0 110.219 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.0 t -69.32 -39.89 79.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.398 -0.814 . . . . 0.0 109.117 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.84 87.42 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.2 -39.93 88.27 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.9 tt -63.6 -34.78 78.59 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.938 -1.101 . . . . 0.0 108.898 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.4 m -59.97 -33.94 72.62 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.812 -1.18 . . . . 0.0 108.687 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -59.98 -38.54 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.626 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -69.3 -20.98 63.89 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.078 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.595 ' C ' ' H ' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -141.89 60.19 1.47 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -68.84 42.33 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.595 ' H ' ' C ' ' A' ' 85' ' ' CYS . 34.8 p-10 -53.92 144.65 18.27 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.586 0.708 . . . . 0.0 111.052 -178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -138.72 -61.11 0.58 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.34 -10.32 44.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.42 -0.8 . . . . 0.0 109.31 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 24.5 m-90 -88.7 45.04 1.25 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.248 -0.907 . . . . 0.0 109.574 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -70.0 145.9 51.46 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.617 -0.677 . . . . 0.0 109.195 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -69.99 159.51 33.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.268 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.499 -179.757 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.88 0 N-CA-C 119.538 2.575 . . . . 0.0 119.538 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -87.2 52.85 2.62 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.291 -1.123 . . . . 0.0 109.221 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.443 ' CG ' HG22 ' A' ' 14' ' ' VAL . 53.3 tp10 -63.4 -39.97 95.93 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.534 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.43 -38.7 91.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.992 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.398 -1.439 . . . . 0.0 109.581 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -62.75 -40.02 95.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.223 -0.923 . . . . 0.0 111.076 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 11' ' ' LEU . . . -69.07 -46.8 66.91 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.983 -1.073 . . . . 0.0 111.177 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttt -60.94 -38.66 86.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.943 -1.098 . . . . 0.0 110.024 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.72 -40.05 86.7 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.482 -1.387 . . . . 0.0 107.783 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -63.39 -36.27 83.15 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 8.6 mp -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.19 -0.944 . . . . 0.0 109.494 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -42.23 89.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.92 -1.113 . . . . 0.0 109.593 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.9 -40.09 91.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.245 -0.909 . . . . 0.0 111.073 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.425 HG22 ' CG ' ' A' ' 3' ' ' GLU . 15.4 t -69.48 -36.44 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.847 -1.158 . . . . 0.0 110.76 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.8 m-30 -51.97 -39.97 60.17 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.58 ' O ' ' N ' ' B' ' 20' ' ' GLY . 67.8 t60 -62.09 -31.6 72.05 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.424 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.78 -57.55 9.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.709 -1.244 . . . . 0.0 109.175 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.14 -43.08 24.75 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.947 -1.095 . . . . 0.0 110.614 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.3 p -75.23 -20.15 59.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.884 -1.135 . . . . 0.0 111.046 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -57.69 -36.14 77.34 Favored Glycine 0 N--CA 1.488 2.13 0 C-N-CA 119.626 -1.274 . . . . 0.0 110.109 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -70.95 -8.06 50.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.008 -1.289 . . . . 0.0 109.551 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -102.0 137.74 39.89 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.89 -42.7 80.65 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -86.14 139.96 30.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -1.127 . . . . 0.0 108.945 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.52 -9.09 58.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.141 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -55.9 153.71 8.25 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.166 -0.959 . . . . 0.0 109.034 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.574 ' HB3' HG23 ' B' ' 69' ' ' VAL . 47.7 tptt -49.49 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.052 -1.03 . . . . 0.0 108.85 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.615 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.28 -177.15 0.17 Allowed 'General case' 0 N--CA 1.508 2.447 0 O-C-N 120.958 -1.089 . . . . 0.0 110.434 179.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 87.5 p -54.43 144.96 19.41 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.416 -1.427 . . . . 0.0 110.831 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -55.56 -41.46 73.32 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 121.408 -0.807 . . . . 0.0 111.041 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 65' ' ' GLY . 44.6 tptt -59.97 -48.39 81.9 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.095 -1.628 . . . . 0.0 111.027 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -73.89 -25.89 60.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.81 -1.181 . . . . 0.0 109.337 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.938 HD23 ' N ' ' B' ' 34' ' ' LYS . 0.1 OUTLIER -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 0.0 109.679 179.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.938 ' N ' HD23 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -76.3 -48.28 20.66 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.987 -1.071 . . . . 0.0 111.893 -178.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 -37.66 84.77 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.2 -1.562 . . . . 0.0 109.282 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.91 -55.59 18.38 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.459 -0.776 . . . . 0.0 111.254 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.0 -39.92 75.6 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.568 -1.333 . . . . 0.0 111.966 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.432 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 2.9 pp0? -58.34 -28.28 64.94 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 120.944 -1.097 . . . . 0.0 108.381 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 77.1 m -76.26 -40.0 52.93 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 121.843 0.83 . . . . 0.0 109.028 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -79.87 -9.75 59.7 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.76 29.23 8.15 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -60.06 -40.6 90.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.581 -0.699 . . . . 0.0 111.148 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 82.9 p -66.1 -28.79 69.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 108.708 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -68.4 -39.97 81.47 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.49 -7.65 4.93 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 43.4 t0 -49.24 -32.07 9.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 0.0 108.765 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.79 92.69 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.971 -1.08 . . . . 0.0 110.284 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -67.87 108.38 2.99 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.287 -0.883 . . . . 0.0 109.185 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' O ' ' B' ' 84' ' ' ALA . 65.9 mmtt -80.04 -69.66 0.57 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -100.04 101.02 11.98 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.056 -1.027 . . . . 0.0 110.129 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -24.57 62.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.375 -0.828 . . . . 0.0 109.065 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -63.94 -40.02 95.49 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.54 -51.66 67.66 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.505 ' O ' ' SD ' ' B' ' 58' ' ' MET . 52.9 t -51.46 -36.97 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.66 -39.93 95.47 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.255 0.55 . . . . 0.0 109.685 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.68 -42.46 98.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.967 0.889 . . . . 0.0 109.378 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.46 -44.18 95.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.612 -0.68 . . . . 0.0 110.727 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 54' ' ' VAL . 0.0 OUTLIER -60.68 -29.77 69.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.179 -0.95 . . . . 0.0 109.164 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -60.03 -46.59 89.01 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.416 -0.802 . . . . 0.0 110.189 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.58 -40.17 96.03 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.97 -1.081 . . . . 0.0 111.218 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' B' ' 61' ' ' LEU . 10.5 mt -65.64 -24.92 67.15 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -81.74 -29.07 33.04 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.06 -40.0 87.92 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.34 76.55 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -50.91 -26.11 10.69 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.364 -1.895 . . . . 0.0 108.364 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 67' ' ' GLY . 34.8 p-10 -88.94 0.77 56.33 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.7 -0.883 . . . . 0.0 109.077 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' B' ' 66' ' ' ASP . . . -61.88 -150.46 0.02 OUTLIER Glycine 0 N--CA 1.48 1.601 0 N-CA-C 107.958 -2.057 . . . . 0.0 107.958 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -147.39 159.18 43.99 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.044 -1.268 . . . . 0.0 110.917 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.661 HG21 HD12 ' B' ' 33' ' ' LEU . 2.9 m -143.67 158.39 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.529 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 27.8 t0 -128.63 -157.79 0.84 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.431 -0.793 . . . . 0.0 109.922 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.651 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.7 p90 -60.03 -44.39 94.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.774 -177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.651 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.9 tt0 -78.09 -26.18 47.97 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 120.535 -1.353 . . . . 0.0 109.614 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -80.54 -39.9 26.95 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.262 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 0.0 OUTLIER -77.71 -35.41 52.12 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.889 -1.132 . . . . 0.0 108.419 -179.651 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 71' ' ' PHE . 68.9 t -71.1 -40.86 75.92 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.132 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.9 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 O-C-N 121.419 -0.8 . . . . 0.0 109.921 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 tp -68.05 -37.9 81.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.384 0.612 . . . . 0.0 110.195 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.06 -39.94 80.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.438 -0.789 . . . . 0.0 109.229 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.92 87.57 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.546 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.0 -40.34 88.87 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.529 ' O ' HD23 ' B' ' 81' ' ' LEU . 1.9 tt -63.26 -34.7 78.24 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.898 -1.126 . . . . 0.0 108.94 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -60.04 -34.12 72.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.664 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.575 ' CG2' ' OE1' ' A' ' 72' ' ' GLN . 0.3 OUTLIER -59.99 -38.55 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.33 -20.87 63.87 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.591 ' C ' ' H ' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -141.96 60.23 1.47 Allowed 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.715 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -68.83 42.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.591 ' H ' ' C ' ' B' ' 85' ' ' CYS . 34.8 p-10 -54.1 144.55 19.25 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.598 0.714 . . . . 0.0 110.989 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -138.53 -61.21 0.59 Allowed 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.33 -10.05 45.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.388 -0.82 . . . . 0.0 109.303 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -89.15 45.14 1.26 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.247 -0.908 . . . . 0.0 109.664 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.9 146.2 51.41 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.27 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -69.95 159.27 34.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.258 -0.901 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.441 -179.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.896 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -95.69 167.76 11.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.258 -1.142 . . . . 0.0 109.107 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.22 -50.06 75.15 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 0.0 110.371 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.913 HD21 HG13 ' B' ' 14' ' ' VAL . 3.7 mm? -74.88 -44.75 47.18 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.886 -1.134 . . . . 0.0 110.044 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -60.62 -41.35 94.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.063 -1.023 . . . . 0.0 110.044 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.0 m -60.25 -40.37 90.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.089 -1.007 . . . . 0.0 110.363 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.13 96.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.3 -0.875 . . . . 0.0 109.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 tpt -62.05 -40.93 97.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.815 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.57 -40.14 90.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.39 -0.819 . . . . 0.0 110.346 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.8 m -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.396 -0.815 . . . . 0.0 110.575 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.07 -39.94 87.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.261 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.07 -40.83 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.814 -1.179 . . . . 0.0 108.946 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -62.39 -31.51 72.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.361 -0.837 . . . . 0.0 110.079 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.869 HG13 HD21 ' B' ' 4' ' ' LEU . 62.7 t -59.93 -49.63 83.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 O-C-N 120.654 -1.279 . . . . 0.0 110.447 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 20' ' ' GLY . 8.7 m-85 -57.31 -24.44 55.04 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.03 -40.08 88.13 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.584 0.707 . . . . 0.0 109.493 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.45 -59.08 3.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.341 -0.849 . . . . 0.0 112.209 -177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.29 -63.03 1.37 Allowed 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.73 -1.231 . . . . 0.0 111.899 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 21' ' ' LYS . 64.6 m -72.64 -13.13 61.3 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.347 -0.846 . . . . 0.0 111.639 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' PHE . . . -66.18 15.22 0.28 Allowed Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.498 -1.334 . . . . 0.0 110.512 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 23' ' ' GLY . 4.6 tmtt? -75.69 11.9 1.2 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.942 -1.328 . . . . 0.0 107.756 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 20' ' ' GLY . 34.5 tt0 60.67 -4.95 0.11 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.73 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -76.28 -85.94 0.37 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 107.948 -2.061 . . . . 0.0 107.948 178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -100.81 105.03 16.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.507 -0.996 . . . . 0.0 108.581 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.74 -39.96 95.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.838 -1.164 . . . . 0.0 109.258 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 27' ' ' LYS . 7.1 m-85 -52.58 171.07 0.06 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.725 ' HB3' HG23 ' A' ' 69' ' ' VAL . 17.7 tptp -51.88 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.389 -1.444 . . . . 0.0 108.434 -179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.55 -178.53 0.21 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.722 -1.236 . . . . 0.0 110.257 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.1 p -47.7 144.66 3.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.948 -1.095 . . . . 0.0 109.324 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 10.3 mtmm -60.06 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.979 -1.075 . . . . 0.0 109.988 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -55.19 -41.3 71.78 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.126 . . . . 0.0 110.877 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 tp10 -72.14 -34.93 68.91 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.927 -1.108 . . . . 0.0 109.12 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.746 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -60.09 -44.67 94.63 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.099 -1.0 . . . . 0.0 110.714 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.6 tptp -69.91 -39.9 75.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.064 -1.648 . . . . 0.0 111.103 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -63.99 -39.85 95.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 120.649 -1.282 . . . . 0.0 109.573 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -68.13 -56.55 8.38 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.871 -0.518 . . . . 0.0 111.868 -177.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.66 -39.94 64.07 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.482 -1.386 . . . . 0.0 112.174 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -53.43 -30.79 42.24 Favored 'General case' 0 C--N 1.287 -2.138 0 O-C-N 121.077 -1.015 . . . . 0.0 108.301 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -74.66 -41.0 61.11 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.503 -0.879 . . . . 0.0 108.721 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -73.45 -30.73 63.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 108.805 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.2 mt -95.82 27.62 3.44 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.709 0.766 . . . . 0.0 108.983 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -59.83 -40.01 87.02 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.426 -0.796 . . . . 0.0 110.763 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 44.2 m -59.79 -27.81 66.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.02 -1.05 . . . . 0.0 109.235 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 29.0 m-85 -63.79 -16.64 61.73 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 117.909 -1.517 . . . . 0.0 107.214 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.99 -4.2 42.88 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' SER . 92.2 m-20 -59.92 -39.87 86.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.674 -0.641 . . . . 0.0 109.871 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 47' ' ' VAL . 2.8 p -146.89 75.04 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.027 -1.046 . . . . 0.0 110.168 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.18 116.97 8.57 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 84' ' ' ALA . 20.1 mtpt -97.05 -66.66 0.89 Allowed 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.826 -0.546 . . . . 0.0 110.65 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -94.46 96.09 9.27 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.661 -1.275 . . . . 0.0 109.511 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.82 61.93 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.151 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -69.4 -40.01 77.59 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -66.87 -52.53 42.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.252 -0.905 . . . . 0.0 109.19 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.657 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.3 t -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -60.84 -40.17 91.82 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.59 -0.694 . . . . 0.0 109.971 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.21 -38.57 88.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.093 -1.004 . . . . 0.0 109.011 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 54' ' ' VAL . 59.2 mt -59.08 -39.93 79.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.33 -31.04 69.92 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.13 -0.981 . . . . 0.0 109.407 178.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.2 -40.02 92.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.173 -0.954 . . . . 0.0 110.847 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -69.93 -40.57 75.46 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.633 -1.292 . . . . 0.0 110.882 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -70.04 -30.22 67.45 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.156 -0.965 . . . . 0.0 111.292 -179.221 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.99 -28.92 16.11 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.962 -1.086 . . . . 0.0 111.434 -177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.2 -34.01 74.22 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.126 -0.984 . . . . 0.0 108.383 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -159.55 67.82 0.4 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.59 -23.1 54.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 43.2 t0 -80.37 -2.68 46.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -1.099 . . . . 0.0 109.376 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.47 -147.5 0.18 Allowed Glycine 0 N--CA 1.484 1.878 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -157.72 158.48 35.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.279 -1.13 . . . . 0.0 110.664 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.725 HG23 ' HB3' ' A' ' 27' ' ' LYS . 15.6 m -129.91 147.9 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.512 ' H ' ' HB3' ' A' ' 73' ' ' GLU . 5.8 m-20 -121.6 -171.76 2.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.409 -0.807 . . . . 0.0 109.612 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.708 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 37.7 p90 -49.39 -54.18 18.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.668 -0.645 . . . . 0.0 112.026 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.708 ' N ' ' CD2' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -70.07 -27.99 65.06 Favored 'General case' 0 C--N 1.289 -2.034 0 O-C-N 120.848 -1.157 . . . . 0.0 109.865 -178.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HB3' ' H ' ' A' ' 70' ' ' ASP . 47.1 tt0 -81.43 -36.2 29.73 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.394 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -70.05 -34.98 73.92 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.2 -42.43 51.29 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.986 0 O-C-N 121.576 -0.703 . . . . 0.0 111.172 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.06 -41.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 O-C-N 121.442 -0.786 . . . . 0.0 110.705 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tp -69.95 -38.45 76.14 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.631 -0.668 . . . . 0.0 110.421 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 74' ' ' PHE . 76.5 t -70.01 -39.9 77.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 108.787 -178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.91 87.47 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -59.97 -39.89 87.18 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' CD1' ' NZ ' ' A' ' 34' ' ' LYS . 7.1 tt -61.81 -40.04 93.85 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.938 -1.101 . . . . 0.0 109.303 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -60.13 -39.23 85.56 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.245 -0.909 . . . . 0.0 109.724 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -55.24 -33.89 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.978 . . . . 0.0 108.454 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.657 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.87 -22.08 63.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.583 -0.698 . . . . 0.0 109.403 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.626 ' C ' ' H ' ' A' ' 87' ' ' ASN . 14.3 t -144.53 62.46 1.33 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -68.32 37.98 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.773 -1.204 . . . . 0.0 108.032 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.626 ' H ' ' C ' ' A' ' 85' ' ' CYS . 29.9 p30 -41.27 112.23 0.29 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.538 0.685 . . . . 0.0 111.302 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -93.68 -68.35 0.81 Allowed 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.42 -40.76 96.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.479 -0.763 . . . . 0.0 109.528 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 12.9 m-90 -85.81 52.27 2.43 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.467 -0.771 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -63.66 146.79 53.12 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.198 -0.939 . . . . 0.0 109.497 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -68.48 155.79 39.21 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.439 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--N 1.302 -1.468 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.224 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.897 0 N-CA-C 119.414 2.525 . . . . 0.0 119.414 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.93 167.7 11.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.229 -1.159 . . . . 0.0 109.145 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -50.03 75.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.869 HD21 HG13 ' A' ' 14' ' ' VAL . 3.7 mm? -75.06 -44.79 45.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.843 -1.16 . . . . 0.0 110.053 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.74 -41.42 95.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.0 109.932 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.1 m -60.17 -40.9 91.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.063 -1.023 . . . . 0.0 110.221 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.99 94.31 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.165 -0.959 . . . . 0.0 109.908 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.28 -40.53 96.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.866 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.01 -40.03 92.0 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.353 -0.842 . . . . 0.0 110.095 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.4 m -59.98 -40.1 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.314 -0.866 . . . . 0.0 110.862 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.94 -40.03 87.55 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.149 -0.969 . . . . 0.0 109.165 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.01 -40.83 84.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.858 -1.151 . . . . 0.0 108.992 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -62.56 -31.32 72.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 0.0 110.089 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.913 HG13 HD21 ' A' ' 4' ' ' LEU . 57.7 t -60.0 -49.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.662 -1.274 . . . . 0.0 110.397 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' GLY . 8.3 m-85 -57.57 -24.44 56.23 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.571 -0.706 . . . . 0.0 109.584 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.26 -59.42 2.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.277 -0.889 . . . . 0.0 112.191 -177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -86.56 -63.24 1.34 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.756 -1.215 . . . . 0.0 112.01 -178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.528 ' C ' ' H ' ' B' ' 21' ' ' LYS . 69.6 m -72.53 -13.18 61.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.956 . . . . 0.0 111.742 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 15' ' ' PHE . . . -66.12 15.37 0.27 Allowed Glycine 0 N--CA 1.491 2.333 0 C-N-CA 119.372 -1.394 . . . . 0.0 110.444 -178.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' B' ' 23' ' ' GLY . 4.7 tmtt? -75.54 11.48 1.28 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.98 -1.306 . . . . 0.0 107.897 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' B' ' 20' ' ' GLY . 34.5 tt0 60.93 -5.0 0.12 Allowed 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.664 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -76.43 -85.62 0.39 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' B' ' 24' ' ' ASP . 33.2 p-10 -100.94 104.98 16.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.35 -1.088 . . . . 0.0 108.515 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.95 -39.97 96.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.806 -1.183 . . . . 0.0 109.291 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.447 ' O ' ' O ' ' B' ' 27' ' ' LYS . 7.3 m-85 -52.2 171.26 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.708 ' HB3' HG23 ' B' ' 69' ' ' VAL . 19.1 tptp -52.3 -89.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.362 -1.461 . . . . 0.0 108.414 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 -178.35 0.23 Allowed 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.687 -1.258 . . . . 0.0 110.445 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.4 p -47.85 144.67 3.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.048 -1.033 . . . . 0.0 109.252 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.501 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 10.8 mtmm -59.97 -50.47 73.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.129 -0.982 . . . . 0.0 110.061 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -54.75 -41.29 70.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.87 -1.144 . . . . 0.0 110.996 -177.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -72.35 -34.88 68.32 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.846 -1.159 . . . . 0.0 108.939 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.74 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.3 tm? -60.04 -44.62 94.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.043 -1.036 . . . . 0.0 110.635 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.465 ' N ' HD13 ' B' ' 33' ' ' LEU . 4.0 tptp -69.88 -40.11 75.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.022 -1.674 . . . . 0.0 110.974 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.579 -1.326 . . . . 0.0 109.698 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.33 -56.45 8.52 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.766 -0.583 . . . . 0.0 111.944 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.52 -40.06 64.3 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.481 -1.387 . . . . 0.0 112.078 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -53.38 -30.59 40.58 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.028 -1.045 . . . . 0.0 108.196 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.0 m -74.77 -41.28 60.34 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 119.558 -0.857 . . . . 0.0 108.745 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -73.34 -30.78 63.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.0 108.759 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 59.3 mt -95.7 27.67 3.37 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.739 0.78 . . . . 0.0 109.005 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -59.87 -40.0 87.15 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.325 -0.86 . . . . 0.0 110.77 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 44.7 m -59.45 -28.33 66.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.025 -1.047 . . . . 0.0 109.242 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.55 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 29.9 m-85 -63.35 -16.97 62.05 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 118.039 -1.464 . . . . 0.0 107.341 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.85 -4.07 41.76 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' B' ' 43' ' ' SER . 92.2 m-20 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.546 -0.721 . . . . 0.0 109.874 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 47' ' ' VAL . 3.1 p -146.81 75.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.085 -1.009 . . . . 0.0 110.081 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.76 117.27 9.45 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.9 mtpt -97.26 -66.28 0.91 Allowed 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.854 -0.529 . . . . 0.0 110.684 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -94.58 95.66 8.94 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.827 -1.171 . . . . 0.0 109.566 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.01 -15.97 62.05 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.13 -39.95 78.58 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.515 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -67.11 -52.33 43.13 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.239 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.664 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.3 t -58.34 -35.63 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 55' ' ' ASP . 52.8 t0 -60.76 -40.05 91.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 109.974 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.51 -38.41 87.15 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.039 -1.038 . . . . 0.0 109.116 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.11 -39.98 79.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.518 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -60.27 -31.06 69.87 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.123 -0.986 . . . . 0.0 109.405 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.3 -39.99 92.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.211 -0.931 . . . . 0.0 110.959 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.93 -40.56 75.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.67 -1.269 . . . . 0.0 110.783 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -70.02 -30.13 67.35 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.115 -0.99 . . . . 0.0 111.285 -179.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -93.04 -28.89 16.1 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.102 -0.999 . . . . 0.0 111.565 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.27 -33.94 73.99 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -159.7 67.67 0.39 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.06 -23.54 52.3 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 41.8 t0 -80.19 -3.18 47.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.365 -1.08 . . . . 0.0 109.468 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.77 -147.07 0.18 Allowed Glycine 0 N--CA 1.483 1.824 0 N-CA-C 108.88 -1.688 . . . . 0.0 108.88 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.01 158.27 34.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -1.105 . . . . 0.0 110.8 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' B' ' 27' ' ' LYS . 14.4 m -129.41 148.15 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.491 ' H ' ' HB3' ' B' ' 73' ' ' GLU . 5.4 m-20 -121.81 -171.59 2.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.318 -0.864 . . . . 0.0 109.485 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.705 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 37.9 p90 -49.64 -53.84 21.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.643 -0.661 . . . . 0.0 112.144 -178.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.705 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -70.2 -27.8 64.78 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 120.807 -1.183 . . . . 0.0 110.003 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.491 ' HB3' ' H ' ' B' ' 70' ' ' ASP . 43.9 tt0 -81.66 -36.06 29.21 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.392 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -69.9 -35.46 74.62 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -73.71 -42.8 54.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 O-C-N 121.613 -0.679 . . . . 0.0 111.256 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -69.93 -40.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 O-C-N 121.364 -0.835 . . . . 0.0 110.753 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.94 -39.13 76.27 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.605 -0.684 . . . . 0.0 110.34 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 74' ' ' PHE . 76.3 t -69.42 -39.87 79.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.26 -0.9 . . . . 0.0 109.003 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.94 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.57 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -60.0 -40.1 88.02 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.68 -40.01 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.879 -1.138 . . . . 0.0 109.356 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -60.1 -39.39 85.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 109.761 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.57 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -55.06 -33.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.106 -0.997 . . . . 0.0 108.336 -179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.664 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -69.64 -22.0 63.51 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.622 -0.674 . . . . 0.0 109.577 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.646 ' C ' ' H ' ' B' ' 87' ' ' ASN . 13.8 t -144.65 62.43 1.32 Allowed 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -68.14 37.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.658 -1.276 . . . . 0.0 108.016 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.646 ' H ' ' C ' ' B' ' 85' ' ' CYS . 29.5 p30 -40.98 112.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.415 0.626 . . . . 0.0 111.328 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -93.74 -67.92 0.83 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.65 -41.03 96.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.597 -0.689 . . . . 0.0 109.35 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -85.71 52.46 2.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.416 -0.803 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.37 147.34 51.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.195 -0.941 . . . . 0.0 109.327 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -69.42 155.76 39.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.418 -0.801 . . . . 0.0 109.412 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 118.026 -0.987 . . . . 0.0 109.303 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.831 2.692 . . . . 0.0 119.831 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.903 ' HB2' ' OE2' ' B' ' 40' ' ' GLU . 4.6 t -90.64 163.3 14.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.149 -1.206 . . . . 0.0 110.157 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.81 -39.95 90.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.447 -0.783 . . . . 0.0 109.66 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.568 HD21 ' CZ ' ' B' ' 74' ' ' PHE . 3.3 tp -72.45 -54.25 9.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.453 -0.779 . . . . 0.0 110.206 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 1.038 ' OE1' HD23 ' B' ' 41' ' ' LEU . 24.4 tp10 -59.91 -40.04 87.46 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.028 -1.045 . . . . 0.0 109.947 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.06 87.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.055 -1.028 . . . . 0.0 109.958 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -0.963 . . . . 0.0 110.651 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 tpt -60.1 -42.08 93.92 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.914 -1.116 . . . . 0.0 110.143 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.01 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.047 -1.033 . . . . 0.0 108.482 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -59.99 -39.52 86.02 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.643 -0.661 . . . . 0.0 110.337 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.94 -39.89 87.09 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.796 -1.19 . . . . 0.0 109.856 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.09 -44.46 98.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 120.905 -1.122 . . . . 0.0 109.968 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.28 -0.888 . . . . 0.0 111.76 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t -71.76 -37.95 64.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.536 -1.353 . . . . 0.0 111.146 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.16 -39.43 63.57 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' O ' ' N ' ' A' ' 20' ' ' GLY . 55.4 m-70 -60.05 -36.54 77.53 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.83 -56.65 9.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.794 -1.192 . . . . 0.0 109.132 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.91 -49.9 11.24 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.892 -1.13 . . . . 0.0 110.192 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' GLU . 37.2 m -66.4 -40.04 89.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.219 -0.925 . . . . 0.0 111.156 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -48.12 -26.89 4.89 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -8.5 55.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -1.214 . . . . 0.0 108.414 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' SER . 87.1 tt0 -98.9 139.8 34.03 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.96 95.75 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' H ' ' HG2' ' A' ' 22' ' ' GLU . 88.5 m-20 -81.87 140.09 34.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.427 -1.043 . . . . 0.0 108.896 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -76.88 -14.37 59.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.344 -0.847 . . . . 0.0 110.621 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' O ' ' O ' ' A' ' 27' ' ' LYS . 93.3 m-85 -63.4 158.03 21.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.629 ' HB3' HG23 ' A' ' 69' ' ' VAL . 26.3 tptt -49.24 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.656 -1.277 . . . . 0.0 109.461 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.3 OUTLIER 176.45 -176.96 0.13 Allowed 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.555 -1.34 . . . . 0.0 110.405 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -49.14 147.86 2.75 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.718 -1.239 . . . . 0.0 109.654 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 3.8 mtmt -59.97 -50.62 73.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.05 -1.031 . . . . 0.0 111.465 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.71 -47.55 63.91 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.157 -1.589 . . . . 0.0 111.099 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -68.14 -39.99 82.53 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 120.826 -1.171 . . . . 0.0 109.354 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.928 HD22 HG21 ' A' ' 69' ' ' VAL . 2.2 tp -48.12 -46.57 34.27 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.848 -1.157 . . . . 0.0 109.213 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -67.2 -39.72 86.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.788 -1.195 . . . . 0.0 110.884 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.03 -38.37 82.51 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.787 -1.196 . . . . 0.0 110.294 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.51 -55.88 10.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.117 -0.99 . . . . 0.0 112.112 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -40.82 72.01 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.504 -1.372 . . . . 0.0 112.003 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.02 -28.7 67.96 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -76.51 -40.0 51.43 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.516 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.901 ' OE2' ' HB2' ' B' ' 2' ' ' SER . 4.0 tp10 -80.68 -16.16 54.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.087 -1.008 . . . . 0.0 109.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.06 HD23 ' OE1' ' B' ' 5' ' ' GLU . 15.9 mt -108.33 32.15 5.03 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.1 m -59.96 -39.98 87.46 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.154 -0.967 . . . . 0.0 110.637 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 73.5 m -60.02 -36.97 78.4 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' HE2' ' OE2' ' B' ' 5' ' ' GLU . 31.6 m-85 -59.99 -40.04 87.78 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 118.701 -1.2 . . . . 0.0 108.421 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.9 mm? -67.64 -3.43 9.01 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 43' ' ' SER . 52.8 t0 -55.86 -39.49 71.55 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 108.778 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.4 87.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.207 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.51 115.37 6.32 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.923 0.868 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.638 ' N ' ' O ' ' A' ' 84' ' ' ALA . 21.2 mmmt -79.94 -70.0 0.55 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -100.01 102.82 14.29 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 122.127 0.965 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.93 -13.34 60.52 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.93 -39.98 75.8 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' CB ' ' CG1' ' A' ' 83' ' ' VAL . . . -70.61 -53.8 14.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.922 -1.111 . . . . 0.0 108.574 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.627 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.5 t -52.79 -35.69 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.73 -39.97 93.43 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.646 -0.658 . . . . 0.0 109.416 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -41.36 99.14 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.067 0.937 . . . . 0.0 109.342 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 80' ' ' ALA . 80.4 mt -60.08 -42.7 90.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.752 . . . . 0.0 109.876 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 mmt -60.82 -23.67 65.26 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.113 -0.992 . . . . 0.0 109.199 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.52 -41.72 88.36 Favored 'General case' 0 C--O 1.198 -1.649 0 O-C-N 121.336 -0.852 . . . . 0.0 111.19 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 52.6 mp0 -69.51 -42.28 74.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.218 -1.551 . . . . 0.0 110.468 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -61.6 -39.71 92.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.564 -0.71 . . . . 0.0 110.241 -179.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -80.35 -33.59 37.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.896 -1.128 . . . . 0.0 110.386 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.03 -40.07 88.06 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.518 -0.739 . . . . 0.0 109.091 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -152.05 61.41 0.85 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -51.46 -31.31 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.156 -1.577 . . . . 0.0 109.156 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -87.87 0.04 56.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.356 -1.085 . . . . 0.0 108.948 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.45 -149.16 0.05 OUTLIER Glycine 0 N--CA 1.481 1.674 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -151.24 155.85 39.65 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -1.046 . . . . 0.0 109.997 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.928 HG21 HD22 ' A' ' 33' ' ' LEU . 15.3 m -137.36 156.84 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.564 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 36.9 p-10 -127.12 -159.11 0.91 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.459 -0.776 . . . . 0.0 109.69 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 28.5 p90 -59.93 -47.6 85.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.638 -0.664 . . . . 0.0 112.053 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.698 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 1.7 tm0? -70.05 -28.3 65.34 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.418 -1.426 . . . . 0.0 109.583 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.564 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 60.9 mm-40 -77.96 -40.93 37.83 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.558 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.69 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.6 t80 -68.33 -38.45 81.53 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.355 -0.84 . . . . 0.0 108.759 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -71.27 -41.76 74.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.01 -39.99 78.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 O-C-N 121.166 -0.959 . . . . 0.0 110.767 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.32 -32.76 66.83 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.112 -0.992 . . . . 0.0 109.801 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 74' ' ' PHE . 53.7 t -69.68 -40.83 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -0.887 . . . . 0.0 109.546 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.82 92.56 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -59.96 -40.01 87.55 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.3 -39.98 94.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.777 -1.202 . . . . 0.0 109.125 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 86' ' ' ASN . 45.1 m -59.97 -38.81 83.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.597 -0.689 . . . . 0.0 109.912 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -58.56 -38.11 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.949 . . . . 0.0 109.211 -178.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.638 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -72.63 -22.18 60.99 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.425 -0.797 . . . . 0.0 110.44 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.54 ' C ' ' H ' ' A' ' 87' ' ' ASN . 91.9 m -125.11 21.21 8.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.226 -0.922 . . . . 0.0 108.606 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 82' ' ' THR . 21.2 p-10 -58.01 2.23 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.392 -0.817 . . . . 0.0 109.975 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 85' ' ' CYS . 40.0 t30 -49.9 106.24 0.11 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.084 -1.01 . . . . 0.0 108.761 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.96 -41.78 92.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.896 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 91' ' ' GLU . 86.6 m-85 -63.78 -40.02 95.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.947 -1.096 . . . . 0.0 109.592 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.484 ' CE3' ' O ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER 23.95 43.12 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 121.23 0.538 . . . . 0.0 112.104 -179.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' PHE . 15.4 pt-20 -76.97 133.74 39.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 0.0 109.692 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -104.97 119.96 40.29 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 109.243 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.421 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.782 2.673 . . . . 0.0 119.782 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.901 ' HB2' ' OE2' ' A' ' 40' ' ' GLU . 4.8 t -90.48 163.43 14.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.196 -1.179 . . . . 0.0 110.223 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.97 -39.91 91.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.368 -0.833 . . . . 0.0 109.734 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.544 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 3.9 tp -72.68 -53.98 10.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.46 -0.775 . . . . 0.0 110.204 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 1.06 ' OE1' HD23 ' A' ' 41' ' ' LEU . 24.4 tp10 -60.07 -40.02 88.06 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 109.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -40.01 87.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.118 -0.989 . . . . 0.0 110.044 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.1 92.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.03 -1.044 . . . . 0.0 110.715 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 4.6 tpt -60.51 -41.88 95.29 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -40.04 87.93 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.183 -0.948 . . . . 0.0 108.558 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.3 m -60.05 -39.29 85.47 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.739 -0.601 . . . . 0.0 110.322 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.01 -40.04 87.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.685 -1.259 . . . . 0.0 109.855 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.91 -44.52 98.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.006 -1.059 . . . . 0.0 109.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.35 -41.12 92.96 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.289 -0.882 . . . . 0.0 111.791 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.75 -37.87 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.586 -1.321 . . . . 0.0 111.234 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -53.15 -39.51 63.59 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.555 ' O ' ' N ' ' B' ' 20' ' ' GLY . 55.6 m-70 -59.94 -36.59 77.39 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.81 -56.58 9.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.703 -1.248 . . . . 0.0 109.183 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -79.93 -50.03 11.04 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.823 -1.173 . . . . 0.0 110.16 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.3 m -66.43 -39.98 89.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.227 -0.921 . . . . 0.0 111.16 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -48.1 -26.78 4.78 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -8.41 55.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.245 . . . . 0.0 108.447 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' B' ' 27' ' ' LYS . 86.4 tt0 -98.8 139.82 33.91 Favored 'General case' 0 C--N 1.289 -2.051 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.848 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.7 -40.0 95.96 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.401 ' H ' ' HG2' ' B' ' 22' ' ' GLU . 88.3 m-20 -81.89 140.28 34.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.304 -1.116 . . . . 0.0 108.851 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -77.14 -14.02 59.86 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.672 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' B' ' 27' ' ' LYS . 93.1 m-85 -63.57 158.23 21.71 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.604 ' HB3' HG23 ' B' ' 69' ' ' VAL . 27.0 tptt -49.37 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.632 -1.292 . . . . 0.0 109.472 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.537 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.3 OUTLIER 176.63 -176.88 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.598 -1.313 . . . . 0.0 110.416 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 88.4 p -49.34 147.89 2.95 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.759 -1.213 . . . . 0.0 109.678 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.519 ' O ' ' CD1' ' B' ' 61' ' ' LEU . 4.0 mtmt -60.03 -50.38 73.96 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.071 -1.018 . . . . 0.0 111.525 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -51.84 -47.52 64.36 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.048 -1.658 . . . . 0.0 111.114 -177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -68.19 -40.01 82.31 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 120.877 -1.139 . . . . 0.0 109.327 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.956 HD22 HG21 ' B' ' 69' ' ' VAL . 2.9 tp -48.0 -46.76 33.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.849 -1.157 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -67.16 -39.76 86.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.872 -1.142 . . . . 0.0 110.832 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -38.42 82.43 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 120.809 -1.182 . . . . 0.0 110.256 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.79 -55.74 10.27 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 111.947 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -40.79 71.93 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.337 -1.477 . . . . 0.0 112.008 -177.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -59.93 -28.86 67.98 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 m -76.28 -40.08 52.59 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.524 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.903 ' OE2' ' HB2' ' A' ' 2' ' ' SER . 4.0 tp10 -80.59 -16.32 54.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.093 -1.004 . . . . 0.0 109.559 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 1.038 HD23 ' OE1' ' A' ' 5' ' ' GLU . 15.5 mt -108.2 32.11 5.04 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 61.1 m -59.98 -40.02 87.68 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.239 -0.913 . . . . 0.0 110.8 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' B' ' 46' ' ' ASP . 75.3 m -59.94 -36.91 78.08 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.576 ' HE2' ' OE2' ' A' ' 5' ' ' GLU . 31.7 m-85 -59.96 -40.01 87.58 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.741 -1.184 . . . . 0.0 108.43 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 3.7 mm? -67.85 -3.38 9.46 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' B' ' 43' ' ' SER . 52.9 t0 -55.82 -39.65 71.68 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.221 -0.924 . . . . 0.0 108.788 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.09 87.55 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.234 -0.916 . . . . 0.0 109.176 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.84 115.36 6.53 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.001 0.905 . . . . 0.0 109.368 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' B' ' 84' ' ' ALA . 21.1 mmmt -80.01 -70.04 0.55 Allowed 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -99.96 102.98 14.51 Favored 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 122.088 0.947 . . . . 0.0 109.436 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.1 -13.28 60.46 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -70.07 -39.89 75.35 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.45 ' CB ' ' CG1' ' B' ' 83' ' ' VAL . . . -70.94 -53.5 14.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.882 -1.136 . . . . 0.0 108.452 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.634 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.4 t -52.89 -35.5 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -61.83 -40.0 93.76 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.695 -0.628 . . . . 0.0 109.478 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -41.26 99.19 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.163 -0.96 . . . . 0.0 109.359 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.414 HD11 ' HB3' ' B' ' 80' ' ' ALA . 80.1 mt -59.94 -43.03 91.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.0 mmt -60.51 -23.8 64.82 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.126 -0.984 . . . . 0.0 109.284 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -66.61 -41.56 88.23 Favored 'General case' 0 C--O 1.2 -1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 111.129 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 60' ' ' GLU . 52.2 mp0 -69.51 -42.38 74.81 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.173 -1.579 . . . . 0.0 110.476 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.4 OUTLIER -61.44 -39.79 92.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.536 -0.728 . . . . 0.0 110.291 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -80.38 -33.56 37.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.8 -1.187 . . . . 0.0 110.408 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.06 -39.96 87.82 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -152.09 61.33 0.84 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -51.45 -31.17 28.06 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -87.89 -0.02 56.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -1.079 . . . . 0.0 108.996 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.51 -149.03 0.05 OUTLIER Glycine 0 N--CA 1.48 1.631 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -151.49 155.91 39.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -1.054 . . . . 0.0 109.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.956 HG21 HD22 ' B' ' 33' ' ' LEU . 14.0 m -137.3 156.93 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.565 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 37.0 p-10 -127.02 -159.05 0.91 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.462 -0.774 . . . . 0.0 109.685 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.693 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 28.5 p90 -59.97 -47.74 84.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.685 -0.634 . . . . 0.0 111.928 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.693 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 1.7 tm0? -69.91 -28.25 65.45 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.44 -1.412 . . . . 0.0 109.654 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.565 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 60.7 mm-40 -77.96 -40.78 38.28 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.608 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.681 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.8 t80 -68.42 -38.33 81.11 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -71.24 -42.02 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.389 -0.82 . . . . 0.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.04 -40.0 77.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 O-C-N 121.203 -0.936 . . . . 0.0 110.68 -176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -72.26 -32.79 66.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.088 -1.008 . . . . 0.0 109.781 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.681 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.3 t -69.84 -40.3 78.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.565 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.59 91.59 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.497 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.95 -40.02 87.57 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.19 -40.1 94.93 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.809 -1.182 . . . . 0.0 109.147 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 86' ' ' ASN . 48.0 m -60.0 -38.96 84.17 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.678 -0.639 . . . . 0.0 109.839 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.497 HG12 ' O ' ' B' ' 80' ' ' ALA . 0.3 OUTLIER -58.38 -38.05 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.147 -0.97 . . . . 0.0 109.284 -178.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.634 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -72.79 -22.24 60.86 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 110.467 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.55 ' C ' ' H ' ' B' ' 87' ' ' ASN . 89.8 m -124.98 21.28 8.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 108.528 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' B' ' 82' ' ' THR . 21.6 p-10 -58.1 2.17 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.442 -0.786 . . . . 0.0 110.017 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' B' ' 85' ' ' CYS . 39.5 t30 -49.94 106.26 0.11 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.102 -0.999 . . . . 0.0 108.838 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.99 -41.74 92.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.903 . . . . 0.0 110.867 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' B' ' 91' ' ' GLU . 86.2 m-85 -63.87 -39.98 95.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 109.663 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.479 ' CE3' ' O ' ' B' ' 87' ' ' ASN . 0.7 OUTLIER 24.14 42.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.445 0 CA-C-O 121.049 0.452 . . . . 0.0 112.061 -179.41 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' B' ' 89' ' ' PHE . 13.7 pt-20 -76.06 134.72 39.99 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.165 -0.96 . . . . 0.0 109.641 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -105.6 119.97 40.48 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.402 -0.811 . . . . 0.0 109.265 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.451 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.945 0 N-CA-C 119.883 2.713 . . . . 0.0 119.883 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -100.76 156.3 17.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.295 -1.12 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' HB2' HG13 ' B' ' 14' ' ' VAL . 48.3 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.746 ' HG ' HG11 ' B' ' 14' ' ' VAL . 59.3 mt -66.9 -39.91 87.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.382 -0.824 . . . . 0.0 109.795 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -40.09 88.2 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 0.0 109.908 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.7 m -60.16 -39.99 88.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.16 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.691 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.24 -40.82 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.039 -1.038 . . . . 0.0 110.431 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.114 -0.991 . . . . 0.0 109.427 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.1 m -67.2 -40.0 86.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.436 -0.79 . . . . 0.0 110.558 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 99.7 mt -60.18 -40.09 88.75 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.838 -1.164 . . . . 0.0 110.742 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.93 -42.68 97.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 120.856 -1.152 . . . . 0.0 109.982 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.51 -42.35 98.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.19 -0.943 . . . . 0.0 111.822 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.703 HG11 ' HG ' ' B' ' 4' ' ' LEU . 25.1 t -70.79 -35.76 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.756 -1.215 . . . . 0.0 111.265 -178.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 6.7 m-30 -59.25 -37.41 77.52 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.8 t60 -60.01 -39.92 87.49 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.832 -0.542 . . . . 0.0 109.799 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.97 -57.48 10.2 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.899 -1.125 . . . . 0.0 109.865 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -74.74 -40.03 61.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.703 -1.248 . . . . 0.0 110.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 22' ' ' GLU . 13.0 m -69.33 -39.66 78.04 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.16 -0.962 . . . . 0.0 110.196 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -50.66 -37.35 33.87 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -74.76 -9.68 58.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -1.13 . . . . 0.0 109.133 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' SER . 51.2 tp10 -88.41 141.4 28.57 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.29 -39.96 91.09 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -92.11 144.7 25.17 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.219 -1.165 . . . . 0.0 109.228 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.71 -30.24 69.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.943 . . . . 0.0 109.697 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -49.94 169.55 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.92 -1.112 . . . . 0.0 108.384 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HZ1' HD23 ' A' ' 36' ' ' LEU . 13.1 tptt -52.99 -85.36 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.731 -1.23 . . . . 0.0 108.453 -179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER 177.26 -175.14 0.14 Allowed 'General case' 0 N--CA 1.512 2.635 0 O-C-N 121.095 -1.003 . . . . 0.0 110.751 178.274 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -56.71 148.54 19.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.982 -1.073 . . . . 0.0 110.903 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' HD22 ' A' ' 64' ' ' ASN . 1.5 mmmm -60.0 -41.66 92.56 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.869 -0.519 . . . . 0.0 111.687 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -60.93 -54.45 44.92 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 119.611 -1.931 . . . . 0.0 110.268 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' LEU . 51.2 tp10 -64.34 -40.0 95.0 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.281 -0.967 . . . . 0.0 108.718 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.013 HD22 HG21 ' A' ' 69' ' ' VAL . 53.9 tp -44.98 -44.62 10.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.967 -1.083 . . . . 0.0 108.253 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.71 ' HB2' HD13 ' A' ' 61' ' ' LEU . 15.6 tptt -60.01 -39.7 86.73 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 120.057 -0.657 . . . . 0.0 109.852 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.03 -34.68 73.71 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.744 -1.223 . . . . 0.0 108.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD23 ' HZ1' ' A' ' 27' ' ' LYS . 9.9 mp -69.99 -56.39 7.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 110.845 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -59.94 -49.21 78.57 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.872 -1.142 . . . . 0.0 110.682 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.0 -21.33 44.31 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-O 121.443 0.64 . . . . 0.0 109.374 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.99 -32.68 15.14 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.373 -0.829 . . . . 0.0 110.579 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -81.97 -6.17 58.91 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.839 -1.163 . . . . 0.0 109.907 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 27.4 mt -115.15 48.63 1.14 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.988 -1.07 . . . . 0.0 108.3 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 22.6 t -53.36 -40.09 64.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.056 -1.027 . . . . 0.0 109.927 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.523 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 78.7 p -60.04 -13.06 9.72 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.687 -1.258 . . . . 0.0 108.066 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 80.3 t80 -47.13 -54.01 11.54 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 120.863 -1.148 . . . . 0.0 110.189 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 42' ' ' SER . 1.2 pt? -65.27 -6.05 8.71 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 118.727 -1.189 . . . . 0.0 108.888 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.693 ' OD1' HG22 ' A' ' 47' ' ' VAL . 4.5 p-10 -60.76 -41.12 94.86 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 118.673 -1.211 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.693 HG22 ' OD1' ' A' ' 46' ' ' ASP . 17.2 m -161.63 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.536 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.79 118.26 9.39 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.204 -1.56 . . . . 0.0 108.209 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' N ' ' O ' ' A' ' 84' ' ' ALA . 3.7 mtmp? -89.14 -72.62 0.54 Allowed 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.744 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -92.04 91.14 7.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.074 -1.016 . . . . 0.0 109.644 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -16.93 63.35 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -69.94 -40.06 75.71 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.44 -53.48 54.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.685 HG23 ' CB ' ' A' ' 84' ' ' ALA . 2.9 t -57.13 -36.96 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -60.1 -39.97 88.03 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.536 -0.727 . . . . 0.0 109.875 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.22 -39.99 89.97 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.918 0.866 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.557 HG23 HD11 ' A' ' 77' ' ' LEU . 80.5 mt -61.03 -43.24 95.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.84 -0.537 . . . . 0.0 111.279 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.514 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.7 ttm -66.84 -26.1 66.75 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 121.093 -1.005 . . . . 0.0 109.056 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -63.28 -40.0 96.17 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.409 -0.807 . . . . 0.0 110.594 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.42 -39.92 74.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.711 -1.243 . . . . 0.0 110.539 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 34' ' ' LYS . 11.8 mt -69.13 -23.97 64.04 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.54 -0.725 . . . . 0.0 109.413 -178.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -88.74 -36.21 16.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.896 -1.128 . . . . 0.0 109.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.515 0.674 . . . . 0.0 109.475 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.58 HD22 ' NZ ' ' A' ' 30' ' ' LYS . 56.3 t30 -127.83 29.1 5.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.7 -28.71 16.68 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -86.98 0.14 55.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -1.057 . . . . 0.0 109.795 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.8 -158.27 8.64 Favored Glycine 0 N--CA 1.478 1.458 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.36 165.23 28.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.63 -0.923 . . . . 0.0 109.819 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.013 HG21 HD22 ' A' ' 33' ' ' LEU . 2.6 m -141.15 155.86 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.549 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 10.9 p-10 -129.1 -158.05 0.86 Allowed 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 29.8 p90 -59.99 -44.03 94.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.439 -0.788 . . . . 0.0 111.865 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.718 ' NE2' ' HB ' ' B' ' 83' ' ' VAL . 37.1 tt0 -70.61 -29.01 65.28 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.178 -1.576 . . . . 0.0 109.245 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 75.8 mm-40 -81.7 -40.06 23.34 Favored 'General case' 0 C--N 1.284 -2.239 0 C-N-CA 119.664 -0.815 . . . . 0.0 109.665 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 78' ' ' VAL . 8.1 t80 -69.95 -39.35 76.1 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 121.819 0.819 . . . . 0.0 108.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG11 ' HB2' ' B' ' 79' ' ' ALA . 54.8 t -74.38 -42.53 50.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.239 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' GLN . 85.9 t -70.86 -40.03 76.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.261 -0.9 . . . . 0.0 110.611 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 57' ' ' ILE . 11.5 tp -73.38 -34.91 65.81 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.428 -0.795 . . . . 0.0 110.113 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 74' ' ' PHE . 77.9 t -70.06 -39.98 77.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 109.074 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -63.69 -38.36 90.83 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.56 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -60.09 -39.99 88.05 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD21 ' HZ1' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -60.41 -43.09 97.07 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.048 -1.032 . . . . 0.0 108.812 179.523 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -60.02 -34.25 73.11 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.84 -1.163 . . . . 0.0 110.047 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.712 ' HB ' ' NE2' ' B' ' 72' ' ' GLN . 0.4 OUTLIER -53.52 -38.18 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.862 -1.149 . . . . 0.0 108.208 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.685 ' CB ' HG23 ' A' ' 54' ' ' VAL . . . -69.99 -22.67 63.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.572 ' C ' ' H ' ' A' ' 87' ' ' ASN . 52.5 t -137.92 58.37 1.69 Allowed 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.557 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 63.2 t30 -67.62 44.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.572 ' H ' ' C ' ' A' ' 85' ' ' CYS . 48.2 p-10 -53.37 140.03 28.52 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.26 0.552 . . . . 0.0 109.926 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -128.1 -61.1 1.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.663 -0.648 . . . . 0.0 109.279 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 64.4 t80 -90.04 -10.93 43.02 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.275 -0.891 . . . . 0.0 109.703 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -90.29 45.07 1.24 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.149 -0.969 . . . . 0.0 110.085 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.1 141.31 54.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.489 ' N ' ' ND2' ' A' ' 92' ' ' ASN . 0.1 OUTLIER -69.48 152.59 44.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.338 -0.851 . . . . 0.0 109.71 -179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.346 -179.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.854 0 N-CA-C 119.735 2.654 . . . . 0.0 119.735 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -100.82 156.06 17.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.172 -1.193 . . . . 0.0 109.565 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.56 ' HB2' HG13 ' A' ' 14' ' ' VAL . 48.5 mt-10 -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.286 -0.884 . . . . 0.0 109.513 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.703 ' HG ' HG11 ' A' ' 14' ' ' VAL . 63.2 mt -66.95 -39.92 87.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.408 -0.807 . . . . 0.0 109.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.0 -40.08 88.0 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.199 -0.938 . . . . 0.0 110.051 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -60.07 -40.01 88.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 110.24 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.17 92.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.272 -0.892 . . . . 0.0 110.707 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mmt -61.31 -40.72 95.26 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.114 -0.991 . . . . 0.0 110.292 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -39.99 87.87 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.099 -1.0 . . . . 0.0 109.454 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -67.48 -39.95 85.24 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.368 -0.832 . . . . 0.0 110.405 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 98.6 mt -60.08 -40.07 88.28 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.848 -1.157 . . . . 0.0 110.835 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -62.86 -42.59 97.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.87 -1.144 . . . . 0.0 109.982 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.61 -42.31 98.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.235 -0.915 . . . . 0.0 111.861 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.746 HG11 ' HG ' ' A' ' 4' ' ' LEU . 29.0 t -70.84 -35.78 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.693 -1.254 . . . . 0.0 111.2 -178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.447 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 6.7 m-30 -59.29 -37.4 77.6 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' B' ' 20' ' ' GLY . 85.8 t60 -60.02 -40.02 87.87 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.195 0.521 . . . . 0.0 109.718 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.84 -57.28 10.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.9 -1.125 . . . . 0.0 109.861 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.86 -40.02 61.23 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.709 -1.244 . . . . 0.0 110.154 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.427 ' O ' ' N ' ' B' ' 22' ' ' GLU . 12.0 m -69.68 -39.13 77.17 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.052 -1.03 . . . . 0.0 110.238 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -50.98 -37.32 36.04 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -74.65 -9.79 58.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.17 -1.194 . . . . 0.0 109.118 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' B' ' 19' ' ' SER . 51.6 tp10 -88.6 141.46 28.5 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.19 90.98 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -92.15 144.74 25.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.262 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.73 -30.12 69.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.698 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -49.91 169.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.928 -1.108 . . . . 0.0 108.459 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.474 ' HZ2' ' CD2' ' B' ' 36' ' ' LEU . 13.5 tptt -53.02 -85.45 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.786 -1.196 . . . . 0.0 108.41 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.586 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.5 OUTLIER 177.35 -175.03 0.14 Allowed 'General case' 0 N--CA 1.512 2.655 0 O-C-N 120.94 -1.1 . . . . 0.0 110.769 178.229 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 58.5 p -56.58 148.48 19.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.015 -1.053 . . . . 0.0 110.974 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.588 ' NZ ' HD22 ' B' ' 64' ' ' ASN . 1.5 mmmm -60.09 -41.4 92.41 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.796 -0.565 . . . . 0.0 111.781 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -61.09 -54.13 48.5 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 119.579 -1.95 . . . . 0.0 110.29 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' B' ' 33' ' ' LEU . 50.9 tp10 -64.58 -40.01 94.77 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.669 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 1.023 HD22 HG21 ' B' ' 69' ' ' VAL . 54.3 tp -45.12 -44.42 10.54 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.718 ' HB2' HD13 ' B' ' 61' ' ' LEU . 15.3 tptt -60.06 -39.82 87.33 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.013 -0.675 . . . . 0.0 109.876 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -60.01 -34.53 73.46 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.724 -1.235 . . . . 0.0 108.771 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' HZ2' ' B' ' 27' ' ' LYS . 10.0 mp -70.04 -56.44 6.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.836 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.664 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.02 -49.25 78.42 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.936 -1.103 . . . . 0.0 110.654 -178.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -57.95 -21.56 44.7 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 121.439 0.638 . . . . 0.0 109.321 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.9 m -91.8 -32.47 15.35 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.347 -0.845 . . . . 0.0 110.635 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.15 -6.16 58.98 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.854 -1.154 . . . . 0.0 109.907 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' B' ' 44' ' ' PHE . 33.5 mt -115.09 48.32 1.18 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.897 -1.127 . . . . 0.0 108.245 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CD2' ' B' ' 45' ' ' LEU . 26.4 t -53.16 -40.15 64.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.06 -1.025 . . . . 0.0 109.921 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.516 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 79.4 p -60.02 -13.02 9.51 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.624 -1.298 . . . . 0.0 108.035 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' B' ' 41' ' ' LEU . 80.2 t80 -47.1 -54.28 10.84 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.992 -1.068 . . . . 0.0 110.09 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' B' ' 42' ' ' SER . 1.1 pt? -65.01 -5.89 7.32 Favored 'General case' 0 C--N 1.297 -1.715 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.994 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.686 ' OD1' HG22 ' B' ' 47' ' ' VAL . 4.6 p-10 -61.12 -40.73 94.87 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.215 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.686 HG22 ' OD1' ' B' ' 46' ' ' ASP . 16.9 m -161.86 68.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.538 -0.726 . . . . 0.0 110.765 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -65.8 118.05 9.1 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 120.15 -1.594 . . . . 0.0 108.205 179.183 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ALA . 3.2 mtmp? -89.24 -71.97 0.58 Allowed 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.803 -0.561 . . . . 0.0 109.823 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.04 90.95 7.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.005 -1.06 . . . . 0.0 109.63 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.96 -40.04 75.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -53.43 54.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.698 HG23 ' CB ' ' B' ' 84' ' ' ALA . 3.0 t -56.95 -37.0 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -59.93 -40.04 87.53 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.912 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -66.27 -40.05 89.85 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.848 0.833 . . . . 0.0 109.049 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.541 HG23 HD11 ' B' ' 77' ' ' LEU . 81.5 mt -60.94 -43.47 95.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.914 -0.491 . . . . 0.0 111.323 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.515 ' HA ' HD12 ' B' ' 61' ' ' LEU . 5.9 ttm -66.4 -26.63 67.33 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.215 -0.928 . . . . 0.0 109.025 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -63.05 -40.06 96.59 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.428 -0.795 . . . . 0.0 110.715 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.22 -40.01 74.77 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.759 -1.213 . . . . 0.0 110.509 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' B' ' 34' ' ' LYS . 12.9 mt -69.11 -24.02 64.07 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.638 0.733 . . . . 0.0 109.457 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.17 -36.02 15.91 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.763 -1.211 . . . . 0.0 109.416 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 63' ' ' GLU . 0.3 OUTLIER -82.74 -27.36 31.16 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.426 0.631 . . . . 0.0 109.411 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.588 HD22 ' NZ ' ' B' ' 30' ' ' LYS . 56.1 t30 -127.6 29.24 5.53 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.95 -28.56 17.52 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -86.96 0.33 55.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -1.074 . . . . 0.0 109.857 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.77 -158.26 8.59 Favored Glycine 0 N--CA 1.479 1.556 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -144.63 164.9 29.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.671 -0.899 . . . . 0.0 109.792 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 1.023 HG21 HD22 ' B' ' 33' ' ' LEU . 2.7 m -140.91 156.0 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.401 -0.812 . . . . 0.0 109.431 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.549 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 10.8 p-10 -129.02 -158.0 0.86 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.02 -43.96 94.91 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.348 -0.845 . . . . 0.0 111.851 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.712 ' NE2' ' HB ' ' A' ' 83' ' ' VAL . 37.0 tt0 -70.82 -28.71 64.82 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.087 -1.633 . . . . 0.0 109.22 -178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.549 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 76.2 mm-40 -81.92 -40.01 22.93 Favored 'General case' 0 C--N 1.284 -2.262 0 C-N-CA 119.608 -0.837 . . . . 0.0 109.6 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.739 ' O ' HG23 ' B' ' 78' ' ' VAL . 8.2 t80 -69.99 -39.62 75.8 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 79' ' ' ALA . 55.5 t -74.12 -42.83 51.84 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 O-C-N 121.062 -1.024 . . . . 0.0 111.208 -178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 72' ' ' GLN . 86.1 t -70.68 -40.04 76.52 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.004 0 O-C-N 121.241 -0.912 . . . . 0.0 110.672 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.541 HD11 HG23 ' B' ' 57' ' ' ILE . 11.2 tp -73.26 -35.09 66.14 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.355 -0.841 . . . . 0.0 110.184 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 74' ' ' PHE . 79.6 t -69.97 -40.02 78.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.033 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -63.41 -38.63 91.88 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.565 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -59.99 -40.03 87.74 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.519 HD22 HG22 ' B' ' 54' ' ' VAL . 0.2 OUTLIER -60.41 -42.99 97.14 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.011 -1.056 . . . . 0.0 108.892 179.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -60.03 -34.49 73.44 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.822 -1.174 . . . . 0.0 110.036 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.718 ' HB ' ' NE2' ' A' ' 72' ' ' GLN . 0.4 OUTLIER -53.33 -38.0 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.794 -1.191 . . . . 0.0 108.14 -179.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.698 ' CB ' HG23 ' B' ' 54' ' ' VAL . . . -70.06 -22.76 63.04 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.357 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.604 ' O ' ' N ' ' B' ' 87' ' ' ASN . 52.3 t -137.84 58.07 1.7 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.562 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 63.6 t30 -67.42 44.11 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' B' ' 85' ' ' CYS . 48.1 p-10 -53.36 139.96 28.71 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.321 0.581 . . . . 0.0 109.977 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -127.97 -61.1 1.12 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.476 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 64.2 t80 -89.95 -11.06 42.81 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -90.15 44.84 1.22 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.218 -0.926 . . . . 0.0 110.132 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.63 142.03 55.22 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.258 -0.901 . . . . 0.0 109.597 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.457 ' N ' ' ND2' ' B' ' 92' ' ' ASN . 0.1 OUTLIER -69.98 152.69 44.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.446 -0.784 . . . . 0.0 109.558 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.387 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.399 2.519 . . . . 0.0 119.399 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -77.55 153.56 33.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.227 -1.161 . . . . 0.0 109.468 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 43.4 mp0 -70.09 -41.77 73.63 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 110.778 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.6 mt -71.55 -40.21 70.15 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.935 -1.103 . . . . 0.0 111.866 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -61.81 -39.93 93.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.491 -1.381 . . . . 0.0 109.943 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.3 m -61.55 -40.2 93.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.436 -0.79 . . . . 0.0 111.28 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.15 75.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.076 -1.015 . . . . 0.0 111.042 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 tpt -61.91 -43.55 98.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.849 -1.157 . . . . 0.0 109.853 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.15 -39.72 87.36 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.221 -0.924 . . . . 0.0 109.022 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.0 m -59.98 -39.92 87.33 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.576 -0.702 . . . . 0.0 110.066 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.99 -39.94 87.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.968 -1.082 . . . . 0.0 110.497 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.8 -44.54 98.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 120.823 -1.173 . . . . 0.0 110.142 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 13' ' ' ASN . 50.8 t-20 -60.13 -41.5 92.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.002 -1.061 . . . . 0.0 111.183 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.63 -37.61 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.771 -1.205 . . . . 0.0 111.032 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 74' ' ' PHE . 7.7 m-30 -55.85 -35.97 67.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' GLY . 65.5 t60 -60.04 -38.2 82.05 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -57.52 9.26 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.614 -1.304 . . . . 0.0 109.159 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -80.12 -48.44 13.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.924 -1.11 . . . . 0.0 110.313 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PHE . 51.9 p -69.9 -35.85 74.94 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.271 -0.893 . . . . 0.0 111.17 -178.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -49.96 -26.52 8.67 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -73.05 -14.34 61.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.307 -1.113 . . . . 0.0 109.032 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 19' ' ' SER . 88.8 tt0 -87.75 141.85 28.28 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.21 -44.34 89.05 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -90.34 159.02 16.84 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.145 -1.209 . . . . 0.0 108.94 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -77.97 -9.34 59.06 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.163 -0.961 . . . . 0.0 109.958 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -53.4 155.12 3.01 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' H ' ' HA ' ' A' ' 70' ' ' ASP . 47.7 tptt -52.06 -82.77 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.672 -1.267 . . . . 0.0 109.029 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.563 ' O ' HG22 ' A' ' 69' ' ' VAL . 14.8 tp -174.01 -179.33 1.67 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.262 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 t -65.89 150.59 48.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.482 -1.386 . . . . 0.0 110.946 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 13.4 mmtp -54.27 -47.6 72.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.672 -0.643 . . . . 0.0 110.449 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 65' ' ' GLY . 44.7 tptt -60.02 -43.4 95.28 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.307 -1.495 . . . . 0.0 111.079 -177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -84.19 -24.66 30.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.598 -1.314 . . . . 0.0 108.561 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.97 HD22 HG21 ' A' ' 69' ' ' VAL . 55.6 tp -51.37 -51.22 56.52 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -72.58 -33.71 66.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.913 -1.117 . . . . 0.0 111.519 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.88 -40.16 87.73 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.225 -1.547 . . . . 0.0 110.879 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.44 -55.5 6.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 112.981 -177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.03 -36.39 75.02 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 120.402 -1.436 . . . . 0.0 111.199 -176.703 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -59.13 -31.56 69.05 Favored 'General case' 0 C--N 1.285 -2.23 0 O-C-N 120.996 -1.065 . . . . 0.0 108.434 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -74.96 -42.36 57.78 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.583 -0.847 . . . . 0.0 108.979 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -31.92 71.99 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.4 mt -98.34 33.75 2.14 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 109.526 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.6 m -59.97 -40.05 87.75 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.006 -1.059 . . . . 0.0 111.0 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 75.7 m -63.7 -30.89 71.94 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.234 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.488 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 40.8 m-85 -60.04 -38.03 81.56 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -63.02 -3.04 1.44 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.41 -0.806 . . . . 0.0 108.861 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 43' ' ' SER . 88.5 m-20 -57.56 -40.16 78.31 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.053 -1.03 . . . . 0.0 108.67 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.0 p -138.21 95.97 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.488 -0.757 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.76 106.13 2.55 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 108.292 177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.618 ' N ' ' O ' ' A' ' 84' ' ' ALA . 2.0 mmmp? -80.07 -70.26 0.53 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.617 -0.677 . . . . 0.0 109.418 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -102.32 100.55 10.72 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.196 -0.94 . . . . 0.0 110.035 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.92 -18.38 60.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.203 -0.935 . . . . 0.0 109.469 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -70.09 -39.94 75.26 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.62 -0.675 . . . . 0.0 109.447 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.19 -54.79 20.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.894 -1.129 . . . . 0.0 108.377 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.568 HG23 ' CB ' ' A' ' 84' ' ' ALA . 1.2 t -55.54 -34.83 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -59.97 -40.0 87.55 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.435 -0.791 . . . . 0.0 109.346 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.72 -40.09 94.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.04 -1.037 . . . . 0.0 109.902 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.4 mp -59.98 -41.32 85.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.223 -0.923 . . . . 0.0 108.783 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.578 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -62.7 -26.21 68.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.398 -0.813 . . . . 0.0 109.085 179.042 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.02 -40.14 95.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.124 -0.985 . . . . 0.0 110.949 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.54 -40.07 61.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.355 -1.466 . . . . 0.0 110.405 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 9.4 mt -67.91 -26.28 65.91 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.704 -0.622 . . . . 0.0 110.902 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -93.2 -37.83 11.88 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.035 -1.041 . . . . 0.0 110.042 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -30.78 68.11 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.448 -0.782 . . . . 0.0 108.899 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -154.72 67.19 0.69 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -62.92 -22.54 64.71 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 51.5 t0 -88.7 5.77 41.7 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.08 -1.247 . . . . 0.0 109.638 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.14 -151.02 0.13 Allowed Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.47 154.28 36.27 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.477 -1.013 . . . . 0.0 109.944 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.97 HG21 HD22 ' A' ' 33' ' ' LEU . 2.9 m -140.05 156.44 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.578 -0.701 . . . . 0.0 109.742 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 44.4 p-10 -125.27 -158.71 0.85 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 30.2 p90 -60.0 -45.38 92.95 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.386 -0.821 . . . . 0.0 112.181 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.674 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 9.0 tt0 -69.78 -27.79 65.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.313 -1.492 . . . . 0.0 108.943 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 61.3 mm-40 -79.28 -41.89 27.06 Favored 'General case' 0 C--N 1.279 -2.487 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.194 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.7 t80 -69.59 -38.04 77.16 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.347 -0.845 . . . . 0.0 108.81 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.65 HG11 ' HB2' ' B' ' 79' ' ' ALA . 51.3 t -73.85 -42.37 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.57 -0.706 . . . . 0.0 110.9 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.0 t -70.19 -40.76 78.51 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.156 -0.965 . . . . 0.0 110.794 -177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.94 -33.91 66.22 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 74' ' ' PHE . 68.0 t -71.93 -40.25 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.031 -1.043 . . . . 0.0 109.813 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.656 ' HB2' HG11 ' B' ' 75' ' ' VAL . . . -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.02 92.77 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.708 0.765 . . . . 0.0 109.141 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.75 -40.11 93.96 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 120.638 -1.289 . . . . 0.0 108.468 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -50.95 -34.98 31.07 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.443 HG21 ' CD ' ' B' ' 72' ' ' GLN . 54.5 t -60.17 -41.81 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.618 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -70.03 -20.65 63.25 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.839 -0.538 . . . . 0.0 110.138 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.513 ' C ' ' N ' ' A' ' 87' ' ' ASN . 35.1 m -141.27 59.33 1.52 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.538 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 29.0 m120 -52.93 -11.98 0.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 86' ' ' ASN . 7.8 p30 43.47 36.5 1.16 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -109.44 -58.15 2.08 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.337 -0.852 . . . . 0.0 110.995 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 35.2 t80 -70.01 -30.21 67.47 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.941 -1.099 . . . . 0.0 111.105 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.506 ' CZ2' ' O ' ' A' ' 87' ' ' ASN . 47.1 m95 64.79 50.69 1.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.407 -0.808 . . . . 0.0 109.9 -178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 89' ' ' PHE . 76.0 mm-40 -59.12 -24.57 63.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -69.49 -13.11 62.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.349 -0.845 . . . . 0.0 109.286 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.2 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.445 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.864 0 N-CA-C 119.558 2.583 . . . . 0.0 119.558 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.3 m -77.45 153.15 33.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -1.18 . . . . 0.0 109.495 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 43.1 mp0 -69.95 -41.56 74.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.109 -0.994 . . . . 0.0 110.74 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -71.58 -40.59 69.81 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.888 -1.133 . . . . 0.0 111.773 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.38 -40.08 93.04 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.513 -1.367 . . . . 0.0 109.993 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 98.7 m -61.86 -40.05 93.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 111.225 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.39 76.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.134 -0.979 . . . . 0.0 111.068 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 8.5 tpt -61.9 -43.72 98.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.972 -1.08 . . . . 0.0 109.956 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -39.7 86.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.289 -0.882 . . . . 0.0 108.956 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -60.02 -39.93 87.55 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.684 -0.635 . . . . 0.0 110.032 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.91 -40.0 87.35 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.007 -1.058 . . . . 0.0 110.471 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.92 -44.12 98.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 120.656 -1.277 . . . . 0.0 110.177 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' B' ' 13' ' ' ASN . 51.3 t-20 -60.63 -41.54 95.11 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.956 -1.09 . . . . 0.0 111.04 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.05 -38.24 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.756 -1.215 . . . . 0.0 111.083 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' B' ' 74' ' ' PHE . 7.6 m-30 -55.6 -36.04 66.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' B' ' 20' ' ' GLY . 64.2 t60 -59.87 -38.4 82.07 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.81 -57.8 8.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.726 -1.234 . . . . 0.0 109.236 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -79.93 -48.49 13.33 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.835 -1.165 . . . . 0.0 110.224 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.435 ' O ' ' N ' ' B' ' 22' ' ' GLU . 50.8 p -69.95 -36.04 74.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.332 -0.855 . . . . 0.0 111.217 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -50.04 -26.53 8.92 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.57 -14.52 61.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -1.102 . . . . 0.0 109.013 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' B' ' 19' ' ' SER . 87.9 tt0 -87.58 141.9 28.26 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.15 -44.59 88.72 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.066 -1.614 . . . . 0.0 109.066 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -89.96 159.1 17.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.153 -1.204 . . . . 0.0 109.174 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -78.04 -9.29 59.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -53.43 155.15 3.03 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.757 -1.215 . . . . 0.0 107.933 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.485 ' H ' ' HA ' ' B' ' 70' ' ' ASP . 48.3 tptt -52.25 -82.76 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.067 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.568 ' O ' HG22 ' B' ' 69' ' ' VAL . 14.8 tp -173.92 -179.46 1.73 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.161 -178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.431 ' H ' ' HG ' ' B' ' 28' ' ' LEU . 10.4 t -65.58 150.6 48.15 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.453 -1.404 . . . . 0.0 110.991 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' B' ' 61' ' ' LEU . 13.3 mmtp -54.26 -47.59 72.11 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.725 -0.609 . . . . 0.0 110.408 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' B' ' 65' ' ' GLY . 45.1 tptt -59.97 -43.45 95.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.294 -1.504 . . . . 0.0 111.179 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -84.3 -24.45 29.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.584 -1.323 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.995 HD22 HG21 ' B' ' 69' ' ' VAL . 55.8 tp -51.61 -51.06 58.62 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -72.8 -33.6 66.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.834 -1.166 . . . . 0.0 111.567 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.199 -1.563 . . . . 0.0 110.835 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.56 -55.37 6.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.082 -1.012 . . . . 0.0 112.978 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.642 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -69.91 -36.7 75.6 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 120.369 -1.457 . . . . 0.0 111.34 -176.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -58.87 -31.69 68.79 Favored 'General case' 0 C--N 1.286 -2.17 0 O-C-N 120.945 -1.097 . . . . 0.0 108.328 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.1 m -74.86 -42.17 58.41 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.057 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -32.23 72.3 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 mt -97.87 33.81 2.03 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.521 -0.737 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -60.03 -40.04 87.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.041 -1.037 . . . . 0.0 110.95 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 74.9 m -63.94 -30.83 71.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.391 -0.818 . . . . 0.0 109.322 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.478 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 40.9 m-85 -59.96 -38.21 81.83 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 52.4 mt -62.96 -2.75 1.31 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.481 -0.762 . . . . 0.0 108.971 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' B' ' 44' ' ' PHE . 88.0 m-20 -58.05 -40.01 79.85 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.98 -1.075 . . . . 0.0 108.569 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.555 ' O ' HG13 ' B' ' 47' ' ' VAL . 4.6 p -138.39 96.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.422 -0.799 . . . . 0.0 110.272 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -68.99 106.29 2.71 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 120.933 -1.105 . . . . 0.0 108.156 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 84' ' ' ALA . 2.1 mmmp? -79.98 -70.74 0.49 Allowed 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.468 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -101.86 100.63 10.97 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.242 -0.912 . . . . 0.0 109.878 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.12 -18.15 60.84 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.481 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -69.99 -39.93 75.62 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.483 0.659 . . . . 0.0 109.53 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -54.56 22.67 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.883 -1.135 . . . . 0.0 108.387 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.566 HG23 ' CB ' ' B' ' 84' ' ' ALA . 1.2 t -55.72 -34.89 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -59.86 -40.04 87.25 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 121.51 -0.744 . . . . 0.0 109.371 -178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.63 -40.12 94.92 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.024 -1.047 . . . . 0.0 109.888 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' B' ' 57' ' ' ILE . 1.4 mp -59.91 -41.29 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.277 -0.89 . . . . 0.0 108.803 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -62.77 -26.12 68.55 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.035 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.0 -40.09 95.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.131 -0.98 . . . . 0.0 110.9 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.82 -40.0 61.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.357 -1.464 . . . . 0.0 110.438 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' B' ' 30' ' ' LYS . 9.4 mt -67.76 -26.64 66.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.655 -0.653 . . . . 0.0 110.886 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -92.92 -37.68 12.11 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.041 -1.037 . . . . 0.0 110.163 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -30.94 68.39 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 108.936 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -154.81 67.18 0.68 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.471 -0.768 . . . . 0.0 109.13 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' B' ' 31' ' ' LYS . . . -62.83 -22.55 64.53 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 66' ' ' ASP . 49.7 t0 -88.56 5.24 43.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.636 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.55 -151.14 0.1 Allowed Glycine 0 N--CA 1.482 1.719 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -151.46 154.56 36.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.033 . . . . 0.0 109.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.995 HG21 HD22 ' B' ' 33' ' ' LEU . 2.9 m -140.4 156.69 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.572 -0.705 . . . . 0.0 109.714 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.522 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 44.8 p-10 -125.41 -158.66 0.85 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 29.9 p90 -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.366 -0.834 . . . . 0.0 112.053 -178.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.678 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 8.5 tt0 -69.55 -28.24 65.83 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.281 -1.512 . . . . 0.0 108.927 -178.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.522 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 61.0 mm-40 -79.06 -41.52 28.59 Favored 'General case' 0 C--N 1.281 -2.384 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.239 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.546 ' O ' HG23 ' B' ' 78' ' ' VAL . 1.7 t80 -69.88 -37.76 76.16 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.388 -0.82 . . . . 0.0 108.804 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 79' ' ' ALA . 46.1 t -74.43 -41.85 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.462 -0.774 . . . . 0.0 110.975 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.7 t -70.75 -40.05 76.35 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 O-C-N 121.264 -0.898 . . . . 0.0 110.884 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -73.4 -33.98 65.27 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.056 -1.027 . . . . 0.0 110.104 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 74' ' ' PHE . 71.7 t -71.8 -40.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.109 -0.995 . . . . 0.0 109.799 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.65 ' HB2' HG11 ' A' ' 75' ' ' VAL . . . -66.33 -37.15 84.7 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 121.72 0.771 . . . . 0.0 109.111 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.74 -39.92 93.27 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.571 -1.331 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -51.34 -34.7 34.95 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.447 HG21 ' CD ' ' A' ' 72' ' ' GLN . 54.5 t -60.15 -42.37 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' B' ' 49' ' ' LYS . . . -69.44 -20.75 63.77 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.332 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.506 ' C ' ' N ' ' B' ' 87' ' ' ASN . 34.8 m -141.26 59.24 1.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.543 ' ND2' ' CZ ' ' A' ' 71' ' ' PHE . 28.8 m120 -52.92 -11.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' B' ' 86' ' ' ASN . 7.8 p30 43.32 36.81 1.14 Allowed 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.457 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -109.67 -58.15 2.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.249 -0.907 . . . . 0.0 110.881 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' B' ' 91' ' ' GLU . 34.8 t80 -70.02 -30.36 67.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.912 -1.117 . . . . 0.0 111.152 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' B' ' 87' ' ' ASN . 47.6 m95 65.02 51.12 1.75 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.515 -0.741 . . . . 0.0 109.846 -178.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' B' ' 89' ' ' PHE . 75.1 mm-40 -59.99 -24.42 64.43 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -69.25 -13.65 62.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.318 -0.864 . . . . 0.0 109.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.53 -179.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.853 0 N-CA-C 119.25 2.46 . . . . 0.0 119.25 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.54 ' OG ' ' OE2' ' B' ' 40' ' ' GLU . 43.1 p -80.67 167.01 20.52 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.273 -1.133 . . . . 0.0 109.329 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.31 -40.11 89.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 110.212 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.23 -42.07 72.72 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -61.74 -40.2 94.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.167 -0.958 . . . . 0.0 110.056 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.7 m -60.17 -40.04 88.55 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.316 -0.865 . . . . 0.0 109.246 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.11 85.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.577 -0.702 . . . . 0.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.95 -1.094 . . . . 0.0 110.271 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.06 -40.31 89.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.978 -1.076 . . . . 0.0 110.373 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.6 m -62.15 -40.05 94.67 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.024 -1.047 . . . . 0.0 110.663 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 93.7 mt -59.98 -39.73 86.69 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.081 -1.012 . . . . 0.0 110.044 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.18 -43.92 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.914 -1.117 . . . . 0.0 110.219 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.06 -40.07 88.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.996 -1.065 . . . . 0.0 110.939 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 6.1 t -69.24 -31.96 51.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 120.273 -1.517 . . . . 0.0 110.413 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.8 m-30 -54.61 -37.74 65.94 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 20' ' ' GLY . 30.9 m-70 -59.46 -33.39 71.24 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -53.06 -56.44 16.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.263 -0.898 . . . . 0.0 109.881 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.06 -0.21 42.34 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 120.846 -1.159 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' PHE . 4.3 m -135.62 -2.92 2.38 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.801 -1.187 . . . . 0.0 110.658 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 16' ' ' HIS . . . -70.07 -40.52 72.45 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.325 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -75.63 -9.11 58.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.149 -1.206 . . . . 0.0 109.464 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -77.4 143.86 38.34 Favored 'General case' 0 C--N 1.284 -2.248 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.81 -39.41 95.35 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.34 137.16 33.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.207 -1.172 . . . . 0.0 109.975 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -70.01 -24.76 63.34 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.62 161.17 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.992 -1.067 . . . . 0.0 109.137 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' HG23 ' A' ' 69' ' ' VAL . 18.9 tptp -50.78 -85.27 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.985 -1.072 . . . . 0.0 108.584 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.673 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER 173.0 -175.32 0.06 Allowed 'General case' 0 N--CA 1.51 2.538 0 O-C-N 121.179 -0.95 . . . . 0.0 110.393 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 p -46.66 146.28 1.6 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.225 -1.547 . . . . 0.0 110.157 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HG2' HG13 ' A' ' 69' ' ' VAL . 36.2 mtpt -60.04 -50.09 75.07 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.383 -0.823 . . . . 0.0 111.598 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -60.03 -40.58 89.82 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.637 -1.29 . . . . 0.0 110.605 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -71.72 -32.5 67.83 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.811 -1.156 . . . . 0.0 109.437 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.844 HD12 ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.04 -44.3 94.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.599 -1.313 . . . . 0.0 108.756 178.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -40.46 75.75 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.285 -0.966 . . . . 0.0 111.866 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.59 -40.14 94.98 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.118 -1.614 . . . . 0.0 109.849 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.53 -52.23 65.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.42 -0.8 . . . . 0.0 110.592 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.04 -39.76 68.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.998 -1.064 . . . . 0.0 111.919 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -22.5 66.92 Favored 'General case' 0 C--N 1.288 -2.104 0 O-C-N 120.63 -1.294 . . . . 0.0 108.31 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.4 m -72.33 -39.96 67.79 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.952 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' OE2' ' OG ' ' B' ' 2' ' ' SER . 11.6 pt-20 -90.99 -7.22 52.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.297 -0.877 . . . . 0.0 110.198 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -104.77 42.22 1.24 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 m -59.96 -40.04 87.7 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.285 -0.885 . . . . 0.0 110.137 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 92.3 p -58.43 -24.21 59.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.404 -0.81 . . . . 0.0 110.147 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.01 -23.65 63.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.593 -1.317 . . . . 0.0 107.483 179.528 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.8 mt -78.07 -9.13 59.0 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.88 87.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 109.962 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 47' ' ' VAL . 2.6 p -157.07 82.46 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.983 -1.073 . . . . 0.0 110.717 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.71 17.88 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.925 -1.109 . . . . 0.0 108.418 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' ALA . 28.3 mtpt -103.94 -50.46 3.38 Favored 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.661 -0.649 . . . . 0.0 110.234 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -102.34 102.39 12.74 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.177 -0.952 . . . . 0.0 110.81 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.06 -18.79 57.82 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.186 -0.946 . . . . 0.0 108.552 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -71.58 -40.06 70.16 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.719 -0.613 . . . . 0.0 109.432 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.36 66.78 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.301 -0.874 . . . . 0.0 109.156 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 58' ' ' MET . 61.1 t -59.66 -39.95 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.161 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.0 -40.06 92.09 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.164 0.507 . . . . 0.0 110.572 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 37.2 ttpt -65.95 -41.64 91.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.158 -0.964 . . . . 0.0 109.807 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.48 -41.67 88.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.528 -0.732 . . . . 0.0 110.111 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -60.8 -28.51 68.82 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.224 -0.923 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.61 -39.81 92.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.313 -0.867 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' OE1' ' O ' ' A' ' 56' ' ' LYS . 44.4 mp0 -69.98 -36.36 75.14 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.698 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 65' ' ' GLY . 10.1 mt -75.71 -24.42 56.21 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.9 -1.125 . . . . 0.0 110.239 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -92.84 -29.35 16.0 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.856 -1.153 . . . . 0.0 110.846 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 22.0 pt-20 -69.71 -34.31 73.71 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.171 -0.956 . . . . 0.0 108.547 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 63' ' ' GLU . 31.1 m120 -151.13 54.36 0.87 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 61' ' ' LEU . . . -50.06 -29.46 14.82 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -87.05 0.39 55.3 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.58 -0.953 . . . . 0.0 109.338 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.44 -153.5 3.27 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -142.53 159.56 42.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.467 -1.019 . . . . 0.0 110.624 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.678 HG23 ' HB3' ' A' ' 27' ' ' LYS . 2.7 m -130.94 159.88 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.529 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 32.1 t0 -127.27 -160.28 0.99 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.455 -0.778 . . . . 0.0 108.995 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CG ' ' N ' ' A' ' 72' ' ' GLN . 2.1 p90 -62.25 -45.18 94.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -0.843 . . . . 0.0 111.23 -178.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.593 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 61.8 tt0 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.737 -1.227 . . . . 0.0 109.903 -178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' HB2' ' H ' ' A' ' 70' ' ' ASP . 44.5 mt-10 -80.62 -39.93 26.57 Favored 'General case' 0 C--N 1.291 -1.959 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.71 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -70.24 -38.67 75.22 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.035 -1.041 . . . . 0.0 108.759 179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.406 HG23 ' CD2' ' A' ' 74' ' ' PHE . 53.4 t -73.84 -40.18 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.382 -0.823 . . . . 0.0 110.778 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.5 t -70.78 -41.51 77.46 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 O-C-N 121.483 -0.761 . . . . 0.0 111.122 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.59 -35.75 70.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.4 t -69.93 -40.1 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 110.116 -178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.26 84.93 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.871 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -64.18 -34.02 77.13 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 54.8 tp -68.24 -40.06 82.11 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.907 -1.12 . . . . 0.0 109.805 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 85' ' ' CYS . 4.1 m -63.99 -36.83 85.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.602 -1.311 . . . . 0.0 109.115 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.871 HG12 ' O ' ' A' ' 80' ' ' ALA . 1.7 p -50.98 -30.39 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -59.98 -37.59 80.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 82' ' ' THR . 30.2 t -140.18 58.33 1.59 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' ASN . 64.8 t30 -48.38 -18.99 0.27 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' ASN . 43.0 t30 47.13 172.86 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.339 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' CG ' ' A' ' 87' ' ' ASN . 70.2 t80 -179.78 -65.36 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -90.97 -21.84 21.11 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.136 -0.978 . . . . 0.0 109.427 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -88.68 57.12 4.03 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.316 -0.865 . . . . 0.0 109.432 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HA ' HD21 ' A' ' 87' ' ' ASN . 14.9 pt-20 -67.08 139.61 57.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -70.21 156.72 38.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.711 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.503 -179.832 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.55 ' OG ' ' OE2' ' A' ' 40' ' ' GLU . 51.1 p -80.4 167.32 20.35 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -1.113 . . . . 0.0 109.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.38 -40.13 89.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.297 -0.877 . . . . 0.0 110.229 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -69.93 -42.27 73.5 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.845 -1.159 . . . . 0.0 109.702 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.67 -40.25 94.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.137 -0.977 . . . . 0.0 110.121 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 87.4 m -60.16 -39.91 88.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.276 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.14 85.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.608 -0.682 . . . . 0.0 110.536 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -49.01 79.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.994 -1.067 . . . . 0.0 110.293 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.11 -40.46 89.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.903 -1.123 . . . . 0.0 110.471 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 94.7 m -62.39 -39.84 94.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.752 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.1 mt -59.99 -39.89 87.29 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.138 -0.976 . . . . 0.0 109.922 -179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.03 -43.79 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.835 -1.166 . . . . 0.0 110.313 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.909 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 5.9 t -69.64 -31.83 50.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 120.236 -1.54 . . . . 0.0 110.437 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.9 m-30 -54.5 -37.96 65.92 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' B' ' 20' ' ' GLY . 30.3 m-70 -59.21 -33.56 71.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -52.97 -56.42 16.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.295 -0.878 . . . . 0.0 109.891 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.01 -0.32 42.27 Favored 'General case' 0 N--CA 1.511 2.577 0 O-C-N 120.81 -1.181 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.418 ' N ' ' O ' ' B' ' 15' ' ' PHE . 4.2 m -135.56 -2.96 2.39 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.773 -1.205 . . . . 0.0 110.651 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 16' ' ' HIS . . . -70.27 -39.93 70.79 Favored Glycine 0 N--CA 1.492 2.367 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.296 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -75.92 -9.28 58.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.078 -1.248 . . . . 0.0 109.289 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -77.39 143.63 38.52 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.6 -39.27 94.87 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -94.46 137.06 34.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -69.99 -25.0 63.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.661 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -48.43 161.34 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.04 -1.038 . . . . 0.0 109.176 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.703 ' HB3' HG23 ' B' ' 69' ' ' VAL . 19.3 tptp -50.94 -85.09 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.991 -1.068 . . . . 0.0 108.614 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.674 ' O ' HG22 ' B' ' 69' ' ' VAL . 0.4 OUTLIER 172.77 -175.4 0.05 Allowed 'General case' 0 N--CA 1.51 2.569 0 O-C-N 121.159 -0.963 . . . . 0.0 110.352 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.8 p -46.7 146.39 1.58 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.181 -1.574 . . . . 0.0 110.048 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' B' ' 69' ' ' VAL . 35.7 mtpt -60.03 -50.04 75.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.498 -0.751 . . . . 0.0 111.63 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -60.03 -40.58 89.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.568 -1.332 . . . . 0.0 110.598 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -71.81 -32.49 67.64 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.362 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.855 ' O ' HD12 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -60.15 -44.38 95.03 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.643 -1.285 . . . . 0.0 108.836 178.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.418 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 0.2 OUTLIER -69.84 -40.52 75.79 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.637 -177.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -64.62 -40.0 94.72 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.136 -1.602 . . . . 0.0 109.859 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.7 -52.19 65.32 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.549 -0.719 . . . . 0.0 110.472 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.96 -39.87 69.05 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.975 -1.078 . . . . 0.0 111.923 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -22.09 66.69 Favored 'General case' 0 C--N 1.287 -2.14 0 O-C-N 120.672 -1.267 . . . . 0.0 108.405 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -72.63 -40.02 66.77 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.926 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' OG ' ' A' ' 2' ' ' SER . 11.7 pt-20 -91.11 -7.48 51.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.355 -0.84 . . . . 0.0 110.267 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 93.8 mt -104.54 42.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.0 m -60.19 -39.7 87.44 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.129 -0.982 . . . . 0.0 109.992 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -58.51 -24.35 60.31 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 110.033 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.04 -23.43 63.73 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.547 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 19.9 mt -78.23 -9.04 59.04 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.93 -40.05 87.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.303 -0.873 . . . . 0.0 109.966 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 47' ' ' VAL . 2.6 p -157.17 82.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.999 -1.063 . . . . 0.0 110.764 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -69.92 121.28 17.05 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.009 -1.057 . . . . 0.0 108.435 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' B' ' 84' ' ' ALA . 26.0 mtpt -103.64 -50.53 3.4 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.674 -0.641 . . . . 0.0 110.209 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -102.03 102.62 13.14 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.183 -0.948 . . . . 0.0 110.783 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.16 -18.73 57.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 108.597 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -71.71 -39.99 69.8 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.771 -0.581 . . . . 0.0 109.449 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.4 66.92 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.803 . . . . 0.0 109.061 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.483 ' O ' ' SD ' ' B' ' 58' ' ' MET . 58.7 t -59.48 -40.03 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -60.92 -39.96 91.39 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.276 0.56 . . . . 0.0 110.583 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 37.3 ttpt -66.08 -41.73 90.34 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.173 -0.954 . . . . 0.0 109.752 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.57 -41.29 87.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.569 -0.707 . . . . 0.0 110.228 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.593 ' N ' ' SD ' ' B' ' 58' ' ' MET . 0.0 OUTLIER -61.07 -28.73 69.29 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.261 -0.899 . . . . 0.0 109.214 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.28 -39.86 91.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.761 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.489 ' OE1' ' O ' ' B' ' 56' ' ' LYS . 44.6 mp0 -70.05 -36.22 74.83 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.79 -1.194 . . . . 0.0 110.798 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' B' ' 65' ' ' GLY . 10.2 mt -75.89 -24.5 55.64 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.934 -1.104 . . . . 0.0 110.157 -178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -92.5 -29.6 16.14 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.82 -1.175 . . . . 0.0 110.927 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.516 ' O ' ' ND2' ' B' ' 64' ' ' ASN . 21.9 pt-20 -69.48 -34.44 74.34 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.185 -0.947 . . . . 0.0 108.638 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' B' ' 63' ' ' GLU . 31.0 m120 -151.16 54.44 0.87 Allowed 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' B' ' 61' ' ' LEU . . . -50.07 -29.74 15.41 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -86.62 0.08 55.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.582 -0.952 . . . . 0.0 109.267 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.1 -153.32 2.94 Favored Glycine 0 N--CA 1.479 1.552 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mp0 -142.88 159.61 41.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -1.093 . . . . 0.0 110.525 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' B' ' 27' ' ' LYS . 2.7 m -130.92 160.01 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.533 ' H ' ' HB2' ' B' ' 73' ' ' GLU . 32.6 t0 -127.49 -160.58 1.02 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.411 -0.806 . . . . 0.0 108.954 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' B' ' 72' ' ' GLN . 2.1 p90 -61.77 -45.44 93.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.86 . . . . 0.0 111.363 -178.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.603 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 61.9 tt0 -70.05 -27.23 64.47 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.699 -1.25 . . . . 0.0 109.783 -178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' B' ' 70' ' ' ASP . 44.5 mt-10 -81.01 -39.79 25.31 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 121.052 -1.03 . . . . 0.0 109.709 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.464 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -70.1 -39.31 75.6 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.133 -0.979 . . . . 0.0 108.694 179.202 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' B' ' 74' ' ' PHE . 54.4 t -73.35 -40.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.372 -0.83 . . . . 0.0 110.99 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.4 t -70.88 -41.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 O-C-N 121.441 -0.787 . . . . 0.0 111.029 -178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.72 -35.62 70.24 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.288 -0.883 . . . . 0.0 109.851 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 74' ' ' PHE . 53.9 t -70.13 -40.06 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.852 . . . . 0.0 110.103 -178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.54 85.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.87 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -64.03 -34.31 77.72 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' B' ' 84' ' ' ALA . 56.2 tp -68.05 -40.01 82.89 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.925 -1.11 . . . . 0.0 110.036 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.534 ' O ' ' N ' ' B' ' 85' ' ' CYS . 4.1 m -63.91 -37.08 86.09 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.661 -1.274 . . . . 0.0 109.093 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.87 HG12 ' O ' ' B' ' 80' ' ' ALA . 1.9 p -50.84 -30.39 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 179.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' B' ' 81' ' ' LEU . . . -60.07 -37.32 79.57 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' B' ' 82' ' ' THR . 30.7 t -140.25 58.43 1.58 Allowed 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' B' ' 87' ' ' ASN . 65.0 t30 -48.41 -19.08 0.28 Allowed 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.509 ' N ' ' C ' ' B' ' 85' ' ' CYS . 42.9 t30 47.0 172.59 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.412 179.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' N ' ' CG ' ' B' ' 87' ' ' ASN . 70.7 t80 -179.66 -65.14 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -91.18 -21.83 20.95 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.129 -0.982 . . . . 0.0 109.28 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 31.0 m-90 -88.44 56.36 3.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.53 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.456 ' HA ' HD21 ' B' ' 87' ' ' ASN . 13.4 pt-20 -66.12 140.02 58.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.212 -0.93 . . . . 0.0 109.413 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -70.19 156.77 38.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 0.0 109.601 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.51 179.872 . . . . . . . . 0 0 . 1 stop_ save_